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Ethylparaben

PubChem CID: 8434

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Compound Synonyms Ethylparaben, ETHYL 4-HYDROXYBENZOATE, 120-47-8, Ethyl paraben, Ethyl p-hydroxybenzoate, Tegosept E, Ethyl parahydroxybenzoate, Mycocten, 4-Hydroxybenzoic acid ethyl ester, Ethyl parasept, Aseptoform E, Nipagin A, Easeptol, Ethyl p-oxybenzoate, Ethyl butex, p-Hydroxybenzoic acid ethyl ester, Napagin A, Nipazin A, Solbrol A, Sobrol A, Benzoic acid, 4-hydroxy-, ethyl ester, p-Carbethoxyphenol, Ethyl-p-hydroxybenzoate, Mekkings E, Aseptin A, Bonomold OE, 9001-05-2, Ethyl-4-hydroxybenzoate, Ethyl para-hydroxybenzoate, p-Oxybenzoesaeureaethylester, 4-Hydroxy-benzoic acid ethyl ester, 4-Carbethoxyphenol, NSC 23514, p-Hydroxybenzoate ethyl ester, Ethylparaben [NF], Benzoic acid, p-hydroxy-, ethyl ester, E214, 4-Hydroxybenzoic acid, ethyl ester, Ins no.214, 4-(Ethoxycarbonyl)phenol, Para-hydroxybenzoic acid ethyl ester, Ethylester kyseliny p-hydroxybenzoove, MFCD00002353, NSC-23514, Ins-214, Ester etylowykwasu p-hydroksybenzoesowego, Ethyl parahydroxybenzoate e214, DTXSID9022528, E-214, 4-hydroxybenzoic acid-ethyl ester, Ethylparaben (NF), 14255EXE39, NCGC00160654-01, ethyl-paraben, Carbethoxyphenol, WLN: QR DVO2, DTXCID002528, Caswell No. 447, p-Hydroxybenzoic acid, ethyl ester, 4-Hydroxybenzoic acid-ethyl ester 1000 microg/mL in Acetonitrile, CAS-120-47-8, HSDB 938, EINECS 204-399-4, p-Oxybenzoesaeureaethylester [German], EPA Pesticide Chemical Code 061202, BRN 1101972, Ethyl chemosept, AI3-30960, Aseptine a, Nipagina A, Ethylester kyseliny p-hydroxybenzoove [Czech], UNII-14255EXE39, Ester etylowykwasu p-hydroksybenzoesowego [Polish], Ethylis hydroxybenzoas, Ethylparaben (Standard), Ethyl 4-hydroxy-benzoate, ETHYLPARABEN [II], ETHYLPARABEN [MI], Ethyl 4-hydroxyl-benzoate, Ethylparaben, INN, USAN, bmse010255, EC 204-399-4, ETHYLPARABEN [HSDB], p-Hydroxybenzoic ethyl ester, SCHEMBL28368, 4-10-00-00367 (Beilstein Handbook Reference), Ethyl 4-Hydroxybenzoate,(S), BIDD:ER0023, CHEMBL15841, ETHYLPARABEN [USP-RS], Ethyl parahydroxybenzoate (TN), ethyl 4-hydroxybenzenecarboxylate, CHEBI:31575, HY-B0934R, NSC8510, Ethyl parahydroxybenzoate (JP17), HMS2091E17, Parahydroxybenzoic acid ethyl ester, Pharmakon1600-01400151, 4-hydroxy benzoic acid ethyl ester, HY-B0934, NSC-8510, NSC23514, Tox21_111961, Tox21_300335, BBL012166, BDBM50428380, NSC755851, s4525, STK070911, ETHYL HYDROXYBENZOATE [MART.], AKOS000120512, ETHYL HYDROXYBENZOATE [WHO-DD], ETHYL HYDROXYBENZOATE [WHO-IP], Tox21_111961_1, CCG-213682, CS-4403, DB13628, ETHYL PARAHYDROXYBENZOATE [JAN], FE23063, NSC-755851, NCGC00160654-02, NCGC00160654-03, NCGC00160654-04, NCGC00160654-06, NCGC00254462-01, AC-11586, AC-34532, AS-11988, DA-73229, NCI60_041866, SBI-0206674.P002, ETHYL ESTER OF P-HYDROXYBENZOIC ACID, E0884, ETHYLIS HYDROXYBENZOAS [WHO-IP LATIN], H0211, NS00008316, EN300-16106, D01647, Ethyl 4-hydroxybenzoate, ReagentPlus(R), 99%, ETHYL PARAHYDROXYBENZOATE [EP IMPURITY], ETHYL PARAHYDROXYBENZOATE [EP MONOGRAPH], W18471, AB00375765_03, AE-646/31213037, Q229976, SR-05000001552, SR-05000001552-1, BRD-K02464583-001-01-4, BRD-K02464583-001-02-2, Ethyl 4-hydroxybenzoate, SAJ first grade, >=99.0%, PROPYL HYDROXYBENZOATE IMPURITY C [EP IMPURITY], Z53833636, Ethyl 4-hydroxybenzoate, Vetec(TM) reagent grade, 99%, Ethylparaben, certified reference material, TraceCERT(R), F0728-0009, 4-Hydroxybenzoic acid ethyl ester, 4-(Ethoxycarbonyl)phenol, METHYL PARAHYDROXYBENZOATE IMPURITY B [EP IMPURITY], Ethylparaben, United States Pharmacopeia (USP) Reference Standard, Ethyl parahydroxybenzoate, European Pharmacopoeia (EP) Reference Standard, Ethylparaben, Pharmaceutical Secondary Standard, Certified Reference Material, InChI=1/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H, E4B
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 46.5
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCCCC1
Np Classifier Class Shikimic acids and derivatives, Simple phenolic acids
Deep Smiles CCOC=O)cccccc6))O
Heavy Atom Count 12.0
Classyfire Class Benzene and substituted derivatives
Scaffold Graph Node Level C1CCCCC1
Classyfire Subclass Benzoic acids and derivatives
Isotope Atom Count 0.0
Molecular Complexity 148.0
Database Name cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id P10275, P22309, P19224, O60656, Q16236, Q9ULX7, O43570, Q16790, P43166, P00918, P00915, Q92731, P03372, n.a., P0DTD1, Q03181
Iupac Name ethyl 4-hydroxybenzoate
Prediction Hob 1.0
Class Benzene and substituted derivatives
Veber Rule True
Classyfire Superclass Benzenoids
Target Id NPT954, NPT949, NPT948, NPT955, NPT233, NPT947, NPT248, NPT108
Xlogp 2.5
Superclass Benzenoids
Subclass Benzoic acids and derivatives
Gsk 4 400 Rule True
Molecular Formula C9H10O3
Scaffold Graph Node Bond Level c1ccccc1
Prediction Swissadme 0.0
Inchi Key NUVBSKCKDOMJSU-UHFFFAOYSA-N
Silicos It Class Soluble
Fcsp3 0.2222222222222222
Logs -2.158
Rotatable Bond Count 3.0
State Solid
Logd 2.356
Synonyms 4-Hydroxybenzoic acid ethyl ester, e-214, e214, Ethyl p-hydroxybenzoate, Ethyl paraben, Ethyl parahydroxybenzoate, p-Hydroxybenzoic acid ethyl ester, p-Oxybenzoesaeureaethylester, 4-Hydroxybenzoate ethyl ester, Ethyl p-hydroxybenzoic acid, Ethyl parahydroxybenzoic acid, p-Hydroxybenzoate ethyl ester, 4-(Ethoxycarbonyl)phenol, 4-Carbethoxyphenol, Aseptin a, Easeptol, Ethyl 4-hydroxybenzoate, Ethyl butex, Ethyl chemosept, Ethyl p-oxybenzoate, Ethyl para-hydroxybenzoate, Ethyl parasept, Ethyl-4-hydroxybenzoate, Ethyl-p-hydroxybenzoate, Ethylparaben, inn, usan, Keloform, Mekkings e, Mycocten, Napagin a, Nipagin a, Nipazin a, p-Carbethoxyphenol, p-Hydroxybenzoic ethyl ester, Para-hydroxybenzoic acid ethyl ester, Sobrol a, Solbrol a, Tegosept e, Ethylparaben, Ethyl hydroxybenzoic acid, ethyl 4-hydroxybenzoate, ethylparaben
Esol Class Soluble
Functional Groups cC(=O)OC, cO
Compound Name Ethylparaben
Kingdom Organic compounds
Prediction Hob Swissadme 0.0
Exact Mass 166.063
Formal Charge 0.0
Monoisotopic Mass 166.063
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 166.17
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Molecular Framework Aromatic homomonocyclic compounds
Lipinski Rule Of 5 True
Esol -2.5983912000000005
Inchi InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3
Smiles CCOC(=O)C1=CC=C(C=C1)O
Nring 1.0
Np Classifier Biosynthetic Pathway Shikimates and Phenylpropanoids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Taxonomy Direct Parent p-Hydroxybenzoic acid alkyl esters
Np Classifier Superclass Phenolic acids (C6-C1)

  • 1. Outgoing r'ship FOUND_IN to/from Andrographis Paniculata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Artemisia Juncea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 3. Outgoing r'ship FOUND_IN to/from Atriplex Parvifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Crinum Asiaticum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 5. Outgoing r'ship FOUND_IN to/from Crotalaria Crispata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Eschweilera Coriacea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Eucalyptus Cladocalyx (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Eupatorium Laevigatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Fagopyrum Esculentum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 10. Outgoing r'ship FOUND_IN to/from Haplopappus Deserticola (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 11. Outgoing r'ship FOUND_IN to/from Hesperocyparis Arizonica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 12. Outgoing r'ship FOUND_IN to/from Hordeum Vulgare (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 13. Outgoing r'ship FOUND_IN to/from Imperata Cylindrica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 14. Outgoing r'ship FOUND_IN to/from Nelumbo Nucifera (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/20860031
  • 15. Outgoing r'ship FOUND_IN to/from Peltodon Longipes (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 16. Outgoing r'ship FOUND_IN to/from Podocarpus Elongata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 17. Outgoing r'ship FOUND_IN to/from Salvadora Persica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Ulva Pertusa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Viburnum Lantana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 20. Outgoing r'ship FOUND_IN to/from Zanthoxylum Nitidum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
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