Ibuprofen, (-)-
PubChem CID: 114864
Connections displayed (default: 10).
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| Compound Synonyms | (R)-(-)-Ibuprofen, 51146-57-7, (R)-Ibuprofen, (-)-Ibuprofen, l-Ibuprofen, levibuprofen, (R)-2-(4-Isobutylphenyl)propanoic acid, r-ibuprofen, (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid, (-)-Ibuprophen, (2R)-2-(4-isobutylphenyl)propanoic acid, Ibuprofen, (-)-, R-(-)-p-Isobutylhydratropic acid, IBUPROFEN, (R)-, 99W8H60N62, alphaR-Sethyl-4-(2-methylpropyl)benzeneacetic acid, CHEMBL427526, Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl)-, (R)-, CHEBI:47835, (r,s)-ibuprofen, (R)-alpha-methyl-4-(2-methylpropyl)benzeneacetic acid, (alphaR)-alpha-Methyl-4-(2-methylpropyl)benzeneacetic acid, (-)-alpha-Methyl-4-(2-methylpropyl)benzeneacetic acid, (-)-.ALPHA.-METHYL-4-(2-METHYLPROPYL)BENZENEACETIC ACID, benzeneacetic acid, alpha-methyl-4-(2-methylpropyl)-, (alphaR)-, BENZENEACETIC ACID, .ALPHA.-METHYL-4-(2-METHYLPROPYL)-, (R)-, MFCD00069290, (.ALPHA.R)-.ALPHA.-METHYL-4-(2-METHYLPROPYL)BENZENEACETIC ACID, BENZENEACETIC ACID, .ALPHA.-METHYL-4-(2-METHYLPROPYL)-, (.ALPHA.R)-, (R,S)-2-(4-(2-methylpropyl)phenyl)propanoic acid, UNII-99W8H60N62, IZP, (r)(-) ibuprofen, (r)(-)-ibuprofen, (R)-IBUPROPHEN, (R)-(-)-Ibuprofen?, SCHEMBL29057, EX-A1358, BDBM50169044, HY-78131B, s5899, AKOS027320481, CS-1394, FI24527, AC-32024, DS-11337, NS00116011, EN300-6505221, (a-R)-a-Methyl-4-(2-methylpropyl)benzeneacetic Acid, Q27120818, Benzeneacetic acid, alpha-methyl-4-(2-methylpropyl)-, (alphaR)- (9CI), 610-621-4 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 203.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | P25024, Q05769, P10145, P97612, P35503, O35240, Q62962, P55926, n.a., P0DTD1 |
| Iupac Name | (2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid |
| Prediction Hob | 1.0 |
| Target Id | NPT102 |
| Xlogp | 3.5 |
| Molecular Formula | C13H18O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HEFNNWSXXWATRW-SNVBAGLBSA-N |
| Fcsp3 | 0.4615384615384615 |
| Logs | -3.701 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.318 |
| Compound Name | Ibuprofen, (-)- |
| 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)/t10-/m1/s1 |
| Smiles | C[C@H](C1=CC=C(C=C1)CC(C)C)C(=O)O |
| Nring | 1.0 |
| 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