1.0 2019-10-15 20:22:45 UTC 2019-10-15 20:22:56 UTC FDB093625 3,5-Dihydroxyphenylvaleric acid C11H14O4 210.229 210.089208931 5-(3,5-dihydroxyphenyl)pentanoic acid 5-(3,5-dihydroxyphenyl)pentanoic acid OC(=O)CCCCC1=CC(O)=CC(O)=C1 InChI=1S/C11H14O4/c12-9-5-8(6-10(13)7-9)3-1-2-4-11(14)15/h5-7,12-13H,1-4H2,(H,14,15) QHXNJIMVPAFCPR-UHFFFAOYSA-N belongs to the class of organic compounds known as resorcinols. Resorcinols are compounds containing a resorcinol moiety, which is a benzene ring bearing two hydroxyl groups at positions 1 and 3. Resorcinols Organic compounds Benzenoids Phenols Benzenediols 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 Medium-chain fatty acids Monocarboxylic acids and derivatives Organic oxides 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Fatty acid Fatty acyl Hydrocarbon derivative Hydroxy fatty acid Medium-chain fatty acid Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Resorcinol logp 1.78 ALOGPS logs -2.46 ALOGPS solubility 7.26e-01 g/l ALOGPS logp 2.34 ChemAxon pka_strongest_acidic 4.12 ChemAxon pka_strongest_basic -5.7 ChemAxon iupac 5-(3,5-dihydroxyphenyl)pentanoic acid ChemAxon average_mass 210.229 ChemAxon mono_mass 210.089208931 ChemAxon smiles OC(=O)CCCCC1=CC(O)=CC(O)=C1 ChemAxon formula C11H14O4 ChemAxon inchi InChI=1S/C11H14O4/c12-9-5-8(6-10(13)7-9)3-1-2-4-11(14)15/h5-7,12-13H,1-4H2,(H,14,15) ChemAxon inchikey QHXNJIMVPAFCPR-UHFFFAOYSA-N ChemAxon polar_surface_area 77.76 ChemAxon refractivity 55.13 ChemAxon polarizability 22.01 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 4 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 167710 Specdb::MsMs 2772272 Specdb::MsMs 2772273 Specdb::MsMs 2772274 Specdb::MsMs 2909160 Specdb::MsMs 2909161 Specdb::MsMs 2909162 FOBI:08811