1.0 2016-09-30 22:50:21 UTC 2020-04-22 15:09:31 UTC BMDB0002043 BMDB02043 5-Phenylvaleric acid Benzenepentanoic-acid delta-Phenylvaleric acid Phenylpentanoic acid Phenylvaleric acid delta-Phenylvalerate Δ-phenylvalerate Δ-phenylvaleric acid Phenylpentanoate Phenylvalerate 5-Phenylvalerate 5-Phenyl valeric acid 5-Phenyl-pentanoate 5-Phenyl-pentanoic acid 5-Phenylpentanoate 5-Phenylpentanoic acid 5-Phenzylvaleric acid Benzenepentanoate Benzenepentanoic acid 5-PHENYLVALERIC ACID C11H14O2 178.2277 178.099379692 5-phenylpentanoic acid 5-phenylvaleric acid 2270-20-4 OC(=O)CCCCC1=CC=CC=C1 InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13) BYHDDXPKOZIZRV-UHFFFAOYSA-N belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms. Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Medium-chain fatty acids Benzene and substituted derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Medium-chain fatty acid Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Aromatic homomonocyclic compounds benzenes monocarboxylic acid Solid melting_point 57.5 °C water_solubility 0.61 mg/mL at 25 °C logp 2.94 AUSTIN,RP ET AL. (1995) logp 2.81 ALOGPS logs -2.94 ALOGPS logp 2.94 ChemAxon pka_strongest_acidic 4.94 ChemAxon iupac 5-phenylpentanoic acid ChemAxon average_mass 178.2277 ChemAxon mono_mass 178.099379692 ChemAxon smiles OC(=O)CCCCC1=CC=CC=C1 ChemAxon formula C11H14O2 ChemAxon inchi InChI=1S/C11H14O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,12,13) ChemAxon inchikey BYHDDXPKOZIZRV-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 51.17 ChemAxon polarizability 20.11 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrTwoD 1780 Specdb::CMs 9125 Specdb::CMs 29683 Specdb::CMs 38240 Specdb::CMs 99739 Specdb::CMs 130977 Specdb::CMs 138711 Specdb::NmrOneD 1840 Specdb::NmrOneD 166610 Specdb::MsMs 1965 Specdb::MsMs 1966 Specdb::MsMs 1967 Specdb::MsMs 263925 Specdb::MsMs 263926 Specdb::MsMs 263927 Specdb::MsMs 283854 Specdb::MsMs 283855 Specdb::MsMs 283856 Specdb::MsMs 2247082 Specdb::MsMs 2247237 Specdb::MsMs 2249165 Specdb::MsMs 2249196 Specdb::MsMs 2251169 Specdb::MsMs 2251261 Specdb::MsMs 2262118 Specdb::MsMs 2262119 Specdb::MsMs 2262120 Specdb::MsMs 3079656 Specdb::MsMs 3079657 Specdb::MsMs 3079658 Specdb::MsIr 1568 Specdb::MsIr 1569 Specdb::MsIr 1570 FDB022814 15886 16757 DB04051 40131 6456