1.0 2012-01-20 01:16:41 UTC 2025-11-19 03:00:04 UTC FDB029987 Dihydroferulic acid A polyphenol metabolite detected in biological fluids [PhenolExplorer] C10H12O4 196.1999 196.073558872 3-(4-hydroxy-3-methoxyphenyl)propanoic acid homovanillinic acid 1135-23-5 COC1=C(O)C=CC(CCC(O)=O)=C1 InChI=1S/C10H12O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13) BOLQJTPHPSDZHR-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylpropanoic acids. Phenylpropanoic acids are compounds with a structure containing a benzene ring conjugated to a propanoic acid. Phenylpropanoic acids Organic compounds Phenylpropanoids and polyketides Phenylpropanoic acids Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Monocarboxylic acids and derivatives Organic oxides Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoid 3-phenylpropanoic-acid Alkyl aryl ether Anisole Aromatic homomonocyclic compound Benzenoid Carbonyl group Carboxylic acid Carboxylic acid derivative Ether Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound monocarboxylic acid logp 1.03 ALOGPS logs -2.18 ALOGPS solubility 1.30e+00 g/l ALOGPS logp 1.59 ChemAxon pka_strongest_acidic 3.95 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 3-(4-hydroxy-3-methoxyphenyl)propanoic acid ChemAxon average_mass 196.1999 ChemAxon mono_mass 196.073558872 ChemAxon smiles COC1=C(O)C=CC(CCC(O)=O)=C1 ChemAxon formula C10H12O4 ChemAxon inchi InChI=1S/C10H12O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2,4,6,11H,3,5H2,1H3,(H,12,13) ChemAxon inchikey BOLQJTPHPSDZHR-UHFFFAOYSA-N ChemAxon polar_surface_area 66.76 ChemAxon refractivity 50.41 ChemAxon polarizability 19.8 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 5673 Specdb::CMs 48779 Specdb::CMs 135475 Specdb::CMs 143209 Specdb::MsMs 240157 Specdb::MsMs 240158 Specdb::MsMs 240159 Specdb::MsMs 242212 Specdb::MsMs 242213 Specdb::MsMs 242214 Specdb::MsMs 2266263 Specdb::MsMs 2266264 Specdb::MsMs 2266265 Specdb::MsMs 3075303 Specdb::MsMs 3075304 Specdb::MsMs 3075305 Specdb::MsIr 10383 Specdb::MsIr 10384 Specdb::MsIr 10385 Specdb::NmrOneD 259408 Specdb::NmrOneD 259409 Specdb::NmrOneD 259410 Specdb::NmrOneD 259411 Specdb::NmrOneD 259412 Specdb::NmrOneD 259413 Specdb::NmrOneD 259414 Specdb::NmrOneD 259415 Specdb::NmrOneD 259416 Specdb::NmrOneD 259417 Specdb::NmrOneD 259418 Specdb::NmrOneD 259419 Specdb::NmrOneD 259420 Specdb::NmrOneD 259421 Specdb::NmrOneD 259422 Specdb::NmrOneD 259423 Specdb::NmrOneD 259424 Specdb::NmrOneD 259425 Specdb::NmrOneD 259426 Specdb::NmrOneD 259427