Ibuprofen
PubChem CID: 3672
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| Compound Synonyms | ibuprofen, 15687-27-1, 2-(4-Isobutylphenyl)propanoic acid, Motrin, Brufen, Advil, Nurofen, Dolgit, Liptan, Medipren, Nuprin, Anflagen, Buburone, Butylenin, Ibuprocin, Lamidon, Ebufac, Ibumetin, Mynosedin, Roidenin, Andran, Apsifen, Bluton, Epobron, Haltran, Nobfen, Nobgen, Trendar, Adran, PediaProfen, Rufen, 2-[4-(2-methylpropyl)phenyl]propanoic acid, Brufort, Ibuprohm, Inabrin, Nobfelon, Pantrop, Rebugen, Suspren, Tabalon, Burana, Anco, Urem, (RS)-Ibuprofen, Ibu-slo, Brufanic, Napacetin, Ibufen, Ibuprin, Profen, Ibren, Cap-Profen, Tab-Profen, Ibu-Tab, (+/-)-Ibuprofen, Ibuprofeno, Novoprofen, Proartinal, Amersol, Dibufen, Dolgin, Dolocyl, Lidifen, Optifen, Ostofen, Panafen, Paxofen, Proflex, Quadrax, Uprofen, Carol, Midol, Rafen, Cobo, Ifen, 4-Isobutylhydratropic acid, (+-)-Ibuprofen, Artril 300, p-Isobutylhydratropic acid, duralbuprofen, Balkaprofen, Betaprofen, Butacortelone, Daiprophen, Ibuprofene, Ibuprofenum, Jenaprofen, Algofen, Amelior, Amibufen, Antagil, Antalfene, Antarene, Antiflam, Artofen, Bruflam, Bufigen, Bukrefen, Buracaps, Citalgan, Combiflam, Dansida, Dentigoa, Dignoflex, Dolgirid, Dolmaral, Dolofen, Dolofort, Dologel, Dolomax, Doloren, Doltibil, Dorival, Duobrus, Dysdolen, Easifon, Exneural, Femadon, Femafen, Femapirin, Femidol, Fenspan, Fibraflex, Gelufene, Gynofug, Ibubest, Ibubeta, Ibucasen, Ibudolor, Ibuflamar, Ibugesic, Ibuhexal, Ibulagic, Ibuleve, Ibulgan, Ibumerck, Ibupirac, Junifen, Kratalgin, Lebrufen, Librofem, Malafene, Manypren, Mensoton, Neobrufen, Nerofen, Noalgil, Nobafon, Noritis, Novadol, Novogent, Nuprilan, Opturem, Oralfene, Ostarin, Paduden, Perofen, Ranofen, Relcofen, Rhinadvil, Sadefen, Salivia, Seclodin, Sednafen, Seklodin, Seskafen, Siyafen, Solpaflex, Sugafen, Suprafen, Syntofene, Tatanal, Unipron, Alaxan, Anafen, Artril, Bloom, Brofen, Bufeno, Bupron, Cesra, Cunil, Dalsy, Dolibu, Dolven, Duafen, Emflam, Eputex, Ergix, Faspic, Fendol, Gofen, Grefen, Ibudol, Ibufug, Ibugel, Ibugen, Ibular, Ibulav, Ibumed, Ibusal, Ibutid, Inflam, Inoven, Ipren, Irfen, Isodol, Kesan, Lopane, Melfen, Midol 200, Moment, Narfen, Ozonol, Provon, Rofen, Rufin, Rupan, Stelar, Tempil, Tofen, Tonal, Upfen, Zofen, Drin, Ibol, Pediatric Advil, Apo-Ibuprofen, Brufen Retard, Deep Relief, Dolo-Dolgit, Ibu-Attritin, Neo-Helvagit, Novo-Profen, Ibu-slow, Neo-Mindol, Dolofen-F, Donjust B, Nagifen-D, Dura-Ibu, Children's Advil, Motrin IB, Children's Motrin, Togal N, 4-Isobutyl-alpha-methylphenylacetic acid, ACHES-N-PAIN, Dularbuprofen, Caldolor, Ibu-Tab 200, Ibuprophen, Pedea, alpha-(4-Isobutylphenyl)propionic acid, Children's Ibuprofen, IP-82, Kontagripp Mono, Tabalon 400, Novo Dioxadol, Schmerz-Dolgit, Junior Strength Advil, 58560-75-1, Brufen 400, Emflam-200, DOLO PUREN, Hemagene Tailleur, Junior Strength Motrin, Act-3, Ak+C2278tren, Advil Liqui-Gels, Adex 200, Codral Period Pain, Junior Strength Ibuprofen, (+-)-Ibuprophen, Children's Elixsure, RD 13621, Am-Fam 400, IB-100, Alivium, (+-)-p-Isobutylhydratropic acid, Advil migraine, U-18,573, Perrigo ibuprofen, Hydratropic acid, p-isobutyl-, (4-Isobutylphenyl)-alpha-methylacetic acid, VUFB 9649, p-Isobutyl-2-phenylpropionic acid, MOTRIN MIGRAINE PAIN, (+-)-2-(p-Isobutylphenyl)propionic acid, UCB 79171, alpha-(p-isobutylphenyl)propionic acid, CCRIS 3223, CHEBI:5855, rac Ibuprofen, CHILDREN'S ADVIL-FLAVORED, HSDB 3099, UNII-WK2XYI10QM, Ibuprofene [INN-French], Ibuprofenum [INN-Latin], Advil Migraine Liqui-Gels, Racemic ibuprofen, WK2XYI10QM, Ibuprofeno [INN-Spanish], alpha-p-Isobutylphenylpropionic acid, EINECS 239-784-6, Midol Liquid Gels, (+-)-alpha-Methyl-4-(2-methylpropyl)benzeneacetic acid, Benzeneacetic acid, .alpha.-methyl-4-(2-methylpropyl)-, NSC 256857, NSC-256857, BRN 2049713, alpha-Methyl-4-(2-methylpropyl)benzeneacetic acid, Ibuprofen sodium, U 18573, U-18573, DTXSID5020732, Ibu, 2-(4-ISOBUTYLPHENYL)PROPIONIC ACID, M01AE01, (+/-)-p-Isobutylhydratropic acid, 2-(p-Isobutylphenyl)propionic acid, MFCD00010393, NSC256857, CHEMBL521, 2-(4-Isobutyl-phenyl)-propionic acid, Acide (isobutyl-4-phenyl)-2 propionique, Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl)-, DTXCID90732, alpha-Methyl-4-(isobutyl)phenylacetic acid, MLS000069733, (+/-)-2-(4-Isobutylphenyl)Propanoic Acid, Dolofin, Esprenit, R.D. 13621, Fenbid, Zafen, EC 239-784-6, COMBUNOX COMPONENT IBUPROFEN, REPREXAIN COMPONENT IBUPROFEN, VICOPROFEN COMPONENT IBUPROFEN, Ibuprofen [USAN:USP:INN:BAN:JAN], SINE-AID IB COMPONENT IBUPROFEN, .alpha.-(p-isobutylphenyl)propionic acid, NCGC00015529-09, .alpha.-(4-Isobutylphenyl)propionic acid, Acide (isobutyl-4 phenyl)-2 propionique, SMR000058184, (+/-)-2-(p-isobutylphenyl)propionic acid, 4-Isobutyl-.alpha.-methylphenylacetic acid, Ibuprofene (INN-French), Ibuprofenum (INN-Latin), ADVIL ALLERGY SINUS COMPONENT IBUPROFEN, Ibuprofeno (INN-Spanish), IBUPROFEN (MART.), IBUPROFEN [MART.], IBUPROFEN (USP-RS), IBUPROFEN [USP-RS], CHILDREN'S ADVIL COLD COMPONENT IBUPROFEN, ADVIL CONGESTION RELIEF COMPONENT IBUPROFEN, CHILDREN'S MOTRIN COLD COMPONENT IBUPROFEN, Advil, Children's, .alpha.-Methyl-4-(2-methylpropyl)benzeneacetic acid, IBUPROFEN (EP MONOGRAPH), IBUPROFEN (USP IMPURITY), IBUPROFEN [EP MONOGRAPH], IBUPROFEN [USP IMPURITY], IBUPROFEN (USP MONOGRAPH), IBUPROFEN [USP MONOGRAPH], Midol IB Cramp Relief, Bayer Select Pain Relief, Ibuprofen (USAN:USP:INN:BAN:JAN), 2-(4-isobutylphenyl)propanoate, Motrin IB Gelcaps, rac Ibuprofen (1.0 mg/mL in Methanol), alpha-(4-Isobutylphenyl)propionate, CAS-15687-27-1, Motrin (TN), Advil (TN), Children's Elixsure IB, SR-01000000214, Actrogel, Cedaprin, Ibupril, IbuprofenJunior, Ibuprox, Probufen, Proprinal, Aktren, ibuprofeninfants, Ibutab, kidgets infants, MotrinInfants, DragonTabs, Ibux, Advil Liquigels, Childrens Advil, CounterActIB, Dolex Children, Dover Addaprin, Ibuprofen Mini, Ibuprofen Minis, Ibuprofen Oral, ibuprofen tablet, Infants Motrin, profen ibinfants, Uline Ibuprofen, Welby Ibuprofen, Xpect Ibuprofen, Ibuprofen Ib, Infants Advil, Medique Iprin, Flex-prin, CDT-ibuprofen, Childrens Motrin, Dolex Flex, Equate Ibuprofen, IbuprofenSoftgels, Leader Ibuprofen, MFCD00069290, Nurofen Meltlets, Rexall Ibuprofen, Zee Ibutab, Profen Ib, Aramark Ibuprofen, Assured Ibuprofen, Ibuprofen Tablets, IbuprofenChildrens, Infants Ibuprofen, Sunmark Ibuprofen, Topcare Ibuprofen, AeroTab Ibuprofen, CareOne Ibuprofen, IbuprofenDye Free, IbuprofenDye-Free, Fast Pain Relief, Rx Act Ibuprofen, (y)-Ibuprofen, Equaline Ibuprofen, Ibuprofen Migraine, Ibuprofen Softgels, Ibuprofen Thompson, profen IBchildrens, Redicare Ibuprofen, Ibuprofen 200mg, Ibuprofen,(S), (+) ibuprofen, Childrens Ibuprofen, Unishield Ibuprofen, Care One Ibuprofen, Circle K Ibuprofen, Dye Free Ibuprofen, Dye-Free Ibuprofen, IBU Tabs, Ibuprofen (Advil), MoreBrand Ibuprofen, Acide (isobutyl-4-phenyl)-2 propionique [French], Isobutylpropanoicphenolic acid, (RS)-2-(4-(2-Methylpropyl)phenyl)propanoic acid, Racemic ibuprofen, (?)-Ibuprofen, CAREALL Ibuprofen, Ibuprofen 200, Motrin IB Migraine, Dg Health Ibuprofen, Ibuprofen [USAN], Moorebrand Ibuprofen, dye-free pain relief, Ibuprofen 200 mg, Medi-first Ibuprofen, Basic Care Ibuprofen, EPROBRON, Good Sense Ibuprofen, IBUOROFEN, IBUPAK, IBUPFROFEN, Otis Clapp Ultraprin, Sound Body Ibuprofen, Sunmark Ibuprofen Ib, Caring mill ibuprofen, Ibuprofen (NSAID), Up and Up Ibuprofen, Ibuprofen (Standard), p-Isobutylhydratropate, Health Mart Ibuprofen, Pain Relief Ibuprofen, Combunox (Salt/Mix), I buprofen 200 mg, IBUPROFEN CA, KOSHER MEDS, (A+/-)-Ibuprofen, betr remedies ibuprofen, Clear Choice Ibuprofen, Crane Safety Ibuprofen, Henry Schein Ibuprofen, Medique at Home Iprin, Members Mark Ibuprofen, sunmark ibuprofeninfants, Direct Safety Ibuprofen, Harris Teeter Ibuprofen, INFANT'S ADVIL, Spectrum_000849, leader infants ibuprofen, equate ibuprofenchildrens, IBUPROFEN [INN], IBUPROFEN [JAN], Opera_ID_554, care one ibuprofeninfants, IBUPROFEN [MI], Preferred Plus Ibuprofen, rx act ibuprofenchildrens, Signature Care Ibuprofen, Ibuprofen, Caseys 4good, VALUMEDS IBUPROFEN, Childrens Ibuprofen fruit, Childrens Ibuprofen grape, IBUPROFEN [HSDB], Ibuprofen Mini 200 mg, Sunmark ibuprofenchildrens, Topcare ibuprofenchildrens, Family Wellness Ibuprofen, First Aid Only Ibuprofen, Handy Solutions Ibuprofen, Health Mart Ibuprofen Ib, IBUPROFEN200 MG, Lil Drug Store Ibuprofen, Physicians Care Ibuprofen, Spectrum2_000129, Spectrum3_000465, Spectrum4_000015, Spectrum5_000862, Topcare Infants Ibuprofen, Welby Childrens Ibuprofen, Childrens Ibuprofen 100, IBUPROFEN [VANDF], IBUPROFEN Tablet coated, Ibuprofen Tablets, coated, IbuprofenImmediate Release, Dye-Free Ibuprofen 200, Equaline ibuprofenchildrens, Medi-first Plus Ibuprofen, WLN: QVY&R DIY, careone childrens ibuprofen, CBMicro_005634, COMPRESSO IBU 66, Green Guard Ibupro Relief, IBUPROFEN 100, IBUPROFEN 250, Leader Childrens Ibuprofen, Care One ibuprofenchildrens, COMPRESSO IBU 66S, Epitope ID:139973, Good Sense ibuprofeninfants, p-isobutyl-hydratropic acid, Topcare Childrens Ibuprofen, I 4883, basic care infants ibuprofen, Cambridge id 5152402, family wellness ibuprofen ib, IBUPROFEN [WHO-DD], IBUPROFEN [WHO-IP], SCHEMBL3001, Equaline Childrens Ibuprofen, Ibuprofen Capsules 200 mg, Kirkland Signature Ibuprofen, 24/7 Life IBUPROFEN, Berkley and Jensen Ibuprofen, McKesson Ibuprofen 200 mg, 365 everday value ibuprofen, Childrens Ibuprofen bubblegum, Dye Free Childrens Ibuprofen, Green Guard Ibuprofen Relief, Isobutylpropanoicphenolic acid, Lopac0_000691, BSPBio_002170, Concentrated ibuprofen infants, Good Sense IbuprofenChildrens, Help I Have An Aching Body, IBUPROFEN [EMA EPAR], KBioGR_000389, KBioSS_001329, 365 everyday value ibuprofen, APROFENREGULAR STRENGTH, DG Health childrens ibuprofen, Ibuprofen tablet, film-coated, MLS001146965, p-Isobutyl-2-phenylpropionate, Pain Relief Anti Inflammatory, sunmark childrens ibuprofen ib, BIDD:GT0050, COMPRESSO IBU 85 PAR, DivK1c_000887, Harris Teeter IbuprofenInfants, SPECTRUM1500347, Basic Care Childrens Ibuprofen, caring mill childrens ibuprofen, core values childrens ibuprofen, Easy Care First Aid Ibuprofen, Good Sense Childrens Ibuprofen, Ibuprofen - Bio-X trade mark, Ibuprofen, >=98% (GC), Preferred Plus Ibuprofen 200, Quality Choice Ibuprofen 200, Sound Body Childrens Ibuprofen, SPBio_000178, Up and Up Childrens Ibuprofen, Ibuprofen (JP17/USP/INN), Ibuprofen, 1mg/ml in Methanol, Pain Reliever / Fever Reducer, alpha-p-Isobutylphenylpropionate, GTPL2713, Health Mart Childrens Ibuprofen, Kirkland Signature Ibuprofen Ib, Motrin IB Gelcaps (Salt/Mix), Pain Relief-Ibuprofen 200 mg, parents choice infants ibuprofen, IBUPROFEN [ORANGE BOOK], Ibuprofen Tablets USP, 200mg, 2-p-isobutylphenylpropionic acid, Good Neighbor Pharmacy Ibuprofen, Signature Care Infants Ibuprofen, Toxicology Saliva Collection Kit, HEFNNWSXXWATRW-UHFFFAOYSA-, HMS502M09, KBio1_000887, KBio2_001329, KBio2_003897, KBio2_006465, KBio3_001390, Advil Cold & Sinus (Salt/Mix), C01CB16, Childrens Ibuprofen 100Dye Free, G02CC01, Harris Teeter Childrens Ibuprofen, M02AA13, R02AX02, Childrens Ibuprofen blue raspberry, Ibuprofen 1.0 mg/ml in Methanol, NINDS_000887, Sine-Aid IB Caplets (Salt/Mix), Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl), (+-)-, Health Mart childrens ibuprofen ib, HMS1920F15, HMS2089P05, HMS2091N03, HMS2230N04, HMS3259G05, HMS3262K03, HMS3372M09, HMS3649M11, HMS3651A15, HMS3884I04, IBUPROFEN Capsule, Liquid-filled, Pharmakon1600-01500347, Signature Care Childrens Ibuprofen, Childrens Ibuprofen Oral Suspension, Family Wellness Childrens Ibuprofen, IBUPROFENUM [WHO-IP LATIN], Pediacare Childrens Ibuprofen Berry, ALBB-025647, BCP10423, BCP20325, BCP25225, EDC64344, ZAG-1701, ( inverted question mark)-Ibuprofen, (.+-.)-p-Isobutylhydratropic acid, Children's Elixsure IB (Salt/Mix), IbuprofenPain Reliever/Fever Reducer, Tox21_110170, Tox21_201384, Tox21_302829, Tox21_500691, 1189866-35-0 (unlabeled), 2-(4'-isobutylphenyl)propionic acid, 2-(4-isobutylphenyl) propanoic acid, 2-(4-isobutylphenyl) propionic acid, 2-(4-isobutylphenyl)-propionic acid, BBL010660, BDBM50009859, CCG-38947, COMBOGESIC COMPONENT IBUPROFEN, HY-78131R, NSC757073, s1638, STK177358, (.+/-.)-p-Isobutylhydratropic acid, 2-(4-isobutylphenyl)-propionoic acid, Ibuprofen Pain Reliever/fever Reducer, IbuprofenPain Releiver/ Fever Reducer, IbuprofenPain Reliever/ Fever Reducer, 2-(4'-isobutylphenyl)-propionic acid, AKOS003237488, AKOS016340658, IBUPROFEN COMPONENT OF COMBUNOX, IbuprofenFast relief medicine for pain, Propanoic acid, 2-(4-isobutylphenyl), Tox21_110170_1, CS-1931, DB01050, FI15848, IBUPROFEN COMPONENT OF REPREXAIN, KS-5029, LP00691, NC00458, NSC-757073, SB19113, SDCCGSBI-0050669.P005, ST-1482, alpha-(4-isobutylphenyl)-propionic acid, alpha-(p-isobutylphenyl)-propionic acid, Cabinet Pain Reliever and Fever Reducer, IBUPROFEN COMPONENT OF VICOPROFEN, IDI1_000887, 2-(4-Isobutylphenyl)propionic Acid-d3, , Good Neighbor Pharmacy ibuprofenchildrens, NCGC00015529-04, NCGC00015529-05, NCGC00015529-06, NCGC00015529-07, NCGC00015529-08, NCGC00015529-10, NCGC00015529-12, NCGC00015529-13, NCGC00015529-14, NCGC00015529-15, NCGC00015529-18, NCGC00015529-32, NCGC00089819-02, NCGC00089819-03, NCGC00089819-04, NCGC00089819-05, NCGC00089819-06, NCGC00089819-07, NCGC00256416-01, NCGC00258935-01, NCGC00261376-01, AC-11312, BI166241, HY-78131, IBUPROFEN COMPONENT OF SINE-AID IB, NCI60_002065, SY046826, SY068330, Good Neighbor Pharmacy Childrens Ibuprofen, Ibuprofen, Vetec(TM) reagent grade, 97%, SBI-0050669.P004, .alpha.-2-(p-Isobutylphenyl)propionic acid, DB-043333, DB-071312, Ibuprofen, meets USP testing specifications, (.+-.)-2-(p-Isobutylphenyl)propionic acid, 4-Isobutylphenyl)-.alpha.-methylacetic acid, EU-0100691, Health Sense Infants IbuprofenOral Suspension, I0415, Ibuprofen Directly compressible granules 66%, NS00000214, SW203738-2, (.+/-.)-2-(p-Isobutylphenyl)propionic acid, Ibuprofen, VETRANAL(TM), analytical standard, (r/s)-alpha-methyl-4-isobutylphenylacetic acid, C01588, D00126, EN300-120638, Ibuprofen (NSAID)Pain Releiver/ Fever Reducer, Ibuprofen(NSAID) Pain Releiver/ Fever Reducer, AB00052020-16, AB00052020-17, AB00052020_18, AB00052020_19, (RS)-2-(4-(2-Methylpropyl)phenyl)propanoic acid, IBUPROFEN COMPONENT OF ADVIL ALLERGY SINUS, Q186969, Up and Up Dye Free Infants Concentrated Ibuprofen, IBUPROFEN COMPONENT OF CHILDREN'S ADVIL COLD, IBUPROFEN COMPONENT OF CHILDREN'S MOTRIN COLD, SR-01000000214-2, SR-01000000214-4, BRD-A17655518-001-02-0, BRD-A17655518-001-12-9, BRD-A17655518-001-23-6, BRD-A17655518-001-24-4, IBUPROFEN COMPONENT OF ADVIL CONGESTION RELIEF, SR-01000000214-13, F2173-0233, Ibuprofen, British Pharmacopoeia (BP) Reference Standard, Z1695709473, (+/-)-alpha-methyl-4-(2-methylpropyl)benzeneacetic acid, Ibuprofen, European Pharmacopoeia (EP) Reference Standard, Benzeneacetic acid, a-methyl-4-(2-methylpropyl)-, (+/-)-, Benzeneacetic acid, a-methyl-4-(2-methylpropyl)-, (A+/-)-, Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl), (+/-)-, Ibuprofen, United States Pharmacopeia (USP) Reference Standard, Benzeneacetic acid, .alpha.-methyl-4-(2-methylpropyl), (.+/-.)-, BENZENEACETIC ACID, .ALPHA.-METHYL-4-(2-METHYLPROPYL), (+/-)-, Dexibuprofen, (S)-Ibuprofen, L 669455, L-669,455, MK 233, MK-233, Ibuprofen, Pharmaceutical Secondary Standard, Certified Reference Material, Ibuprofen for peak identification, European Pharmacopoeia (EP) Reference Standard, 2-(4-Isobutylphenyl)-propionic acid, alpha-Methyl-4-(2-methylpropyl)benzeneacetic acid, p-Isobutylhydratropic acid, 2-(4-Isobutylphenyl)-propionic acid, alpha-Methyl-4-(2-methylpropyl)benzeneacetic acid, p-Isobutylhydratropic acid, 239-784-6, InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Description | Ibuprofen is a nonsteroidal anti-inflammatory drug (NSAID) widely marketed under various trademarks including Act-3, Advil, Brufen, Motrin, Nuprin, and Nurofen. It is used for relief of symptoms of arthritis, primary dysmenorrhoea, and fever, Ibuprofen is an NSAID which is believed to work through inhibition of cyclooxygenase (COX), thus inhibiting prostaglandin synthesis. There are at least 2 variations of cyclooxygenase (COX-1 and COX-2), ibuprofen inhibits both COX-1 and COX-2. It appears that its analgesic, antipyretic, and anti-inflammatory activity are achieved principally through COX-2 inhibition, whereas COX-1 inhibition is responsible for its unwanted effects on platelet aggregation and the GI mucosa. As with other NSAIDs, ibuprofen inhibits platelet aggregation, but is not used therapeutically for this action since it is a minor and reversible effect. -- Wikipedia [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 203.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q05769, P12527, Q63921, P23219, P35354, O09114, P05979, n.a., P09917, P11712, P79208, P35355, P02768, P42330, P49810, P37136, Q8VD48, P02769, Q8VC69, Q80UJ1, P37231, O62664, Q92887, O15245, P02692, O62698, P97612, P02545, P19838, Q194T2, Q96KQ7, O95149, P83916, Q9UBT6, P08659, P16662, P36537, P06133, P22309, Q9HAW8, P22310, Q9HAW7, O60656, Q9Y4X1, Q9HAW9, P35503, O15439, Q4U2R8, Q9NSA0, P33527, O88909, Q8TCC7, P46720, O35913, O35956, O75496, P11308, O94956, Q9NPD5, Q9Y6L6, O14684, P08170, Q13148, O75874, O94782, P15289, Q9NR56, Q8NER1, P02770, P51589, O70127, O95342, P00533, O95069, O35240, Q62962, P55926, P22303, P06276, P0DTD1, P00374, P29477, Q8TDX5, P10275 |
| Iupac Name | 2-[4-(2-methylpropyl)phenyl]propanoic acid |
| Prediction Hob | 1.0 |
| Class | Phenylpropanoic acids |
| Target Id | NPT30, NPT31, NPT570, NPT212, NPT604, NPT3504, NPT483, NPT163, NPT665, NPT669, NPT713, NPT204, NPT439, NPT2818 |
| Xlogp | 3.5 |
| Superclass | Phenylpropanoids and polyketides |
| Molecular Formula | C13H18O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HEFNNWSXXWATRW-UHFFFAOYSA-N |
| Fcsp3 | 0.4615384615384615 |
| Logs | -3.399 |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Logd | 0.471 |
| Synonyms | (+-)-2-(P-Isobutylphenyl)propionate, (+-)-2-(P-Isobutylphenyl)propionic acid, (+-)-a-Methyl-4-(2-methylpropyl)benzeneacetate, (+-)-a-Methyl-4-(2-methylpropyl)benzeneacetic acid, (+-)-alpha-Methyl-4-(2-methylpropyl)benzeneacetate, (+-)-alpha-Methyl-4-(2-methylpropyl)benzeneacetic acid, (+-)-Ibuprofen, (+-)-P-Isobutylhydratropate, (+-)-P-Isobutylhydratropic acid, (+-)-α-methyl-4-(2-methylpropyl)benzeneacetate, (+-)-α-methyl-4-(2-methylpropyl)benzeneacetic acid, (4-Isobutylphenyl)-a-methylacetate, (4-Isobutylphenyl)-a-methylacetic acid, (4-Isobutylphenyl)-alpha-methylacetate, (4-Isobutylphenyl)-alpha-methylacetic acid, (4-Isobutylphenyl)-α-methylacetate, (4-Isobutylphenyl)-α-methylacetic acid, (RS)-ibuprofen, 2-(4-Isobutylphenyl)propanoate, 2-(4-Isobutylphenyl)propanoic acid, 4-Isobutylhydratropate, 4-Isobutylhydratropic acid, a-(4-Isobutylphenyl)propionate, a-(4-Isobutylphenyl)propionic acid, a-(P-Isobutylphenyl)propionate, a-(P-Isobutylphenyl)propionic acid, Adran, Advil, alpha-(4-Isobutylphenyl)propionate, alpha-(4-Isobutylphenyl)propionic acid, alpha-(P-Isobutylphenyl)propionate, alpha-(P-Isobutylphenyl)propionic acid, alpha-p-Isobutylphenylpropionate, alpha-p-Isobutylphenylpropionic acid, Amibufen, Anco, Anflagen, Apsifen, Bluton, Brufen, Brufort, Buburone, Butylenin, Dolgin, Dolgirid, Dolgit, Dolo-dolgit, duralbuprofen, Ebufac, Epobron, Femadon, Haltran, Ibu-attritin, Ibumetin, Ibuprocin, Ibutid, Inabrin, Inoven, Lamidon, Lebrufen, Liptan, Medipren, Motrin, Mynosedin, Nobfen, Nobgen, Nuprin, Nurofen, p-Isobutyl-2-phenylpropionate, p-Isobutyl-2-phenylpropionic acid, p-Isobutylhydratropate, p-Isobutylhydratropic acid, Pediaprofen, Roidenin, Rufen, Seclodin, Suspren, Tabalon, Trendar, Urem, α-(4-isobutylphenyl)propionate, α-(4-isobutylphenyl)propionic acid, α-(P-isobutylphenyl)propionate, α-(P-isobutylphenyl)propionic acid |
| Substituent Name | 2-phenylpropanoic-acid, Phenylacetate, Monoterpenoid, Monocyclic monoterpenoid, Aromatic monoterpenoid, P-cymene, Phenylpropane, Benzenoid, Monocyclic benzene moiety, Monocarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aromatic homomonocyclic compound |
| Compound Name | Ibuprofen |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 206.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 206.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 206.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3559669999999993 |
| Inchi | InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) |
| Smiles | CC(C)CC1=CC=C(C=C1)C(C)C(=O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Artemisia Montana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Artemisia Princeps (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Olea Europaea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Paulownia Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Plantago Major (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Rhododendron Molle (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Syzygium Aromaticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all