1.0 2012-01-13 17:26:00 UTC 2015-07-21 07:01:19 UTC FDB029824 3-Hydroxyphenyl-valeric acid A polyphenol metabolite detected in biological fluids [PhenolExplorer] C11H14O3 194.2271 194.094294314 5-(3-hydroxyphenyl)pentanoic acid 5-(3-hydroxyphenyl)pentanoic acid OC(=O)CCCCC1=CC=CC(O)=C1 InChI=1S/C11H14O3/c12-10-6-3-5-9(8-10)4-1-2-7-11(13)14/h3,5-6,8,12H,1-2,4,7H2,(H,13,14) CMLIEOOXQFWANJ-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. Medium-chain fatty acids Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acids and conjugates Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzene and substituted derivatives Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Hydroxy fatty acids Monocarboxylic acids and derivatives Organic oxides 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Hydroxy fatty acid Medium-chain fatty acid Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol logp 1.97 ALOGPS logs -2.64 ALOGPS solubility 4.50e-01 g/l ALOGPS logp 2.64 ChemAxon pka_strongest_acidic 4.48 ChemAxon pka_strongest_basic -5.5 ChemAxon iupac 5-(3-hydroxyphenyl)pentanoic acid ChemAxon average_mass 194.2271 ChemAxon mono_mass 194.094294314 ChemAxon smiles OC(=O)CCCCC1=CC=CC(O)=C1 ChemAxon formula C11H14O3 ChemAxon inchi InChI=1S/C11H14O3/c12-10-6-3-5-9(8-10)4-1-2-7-11(13)14/h3,5-6,8,12H,1-2,4,7H2,(H,13,14) ChemAxon inchikey CMLIEOOXQFWANJ-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 53.15 ChemAxon polarizability 21.06 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5684 Specdb::CMs 47449 Specdb::CMs 165489 Specdb::MsIr 9363 Specdb::MsIr 9364 Specdb::MsIr 9365 Specdb::MsMs 240220 Specdb::MsMs 240221 Specdb::MsMs 240222 Specdb::MsMs 242275 Specdb::MsMs 242276 Specdb::MsMs 242277 Specdb::MsMs 2815393 Specdb::MsMs 2815394 Specdb::MsMs 2815395 Specdb::MsMs 2893322 Specdb::MsMs 2893323 Specdb::MsMs 2893324 HMDB41666 #<Reference:0x000055ce32751cb8>