1.0 2020-04-02 17:34:41 UTC 2025-11-19 03:07:40 UTC FDB097219 8-O-4'-Diferulic acid C14H10Cl4 320.041 317.953661148 (2Z)-2-{4-[(1E)-2-carboxyeth-1-en-1-yl]-2-methoxyphenoxy}-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid (2Z)-2-{4-[(1E)-2-carboxyeth-1-en-1-yl]-2-methoxyphenoxy}-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 InChI=1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H AHJKRLASYNVKDZ-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylpyruvic acid derivatives. Phenylpyruvic acid derivatives are compounds containing a phenylpyruvic acid moiety, which consists of a phenyl group substituted at the second position by an pyruvic acid. Phenylpyruvic acid derivatives Organic compounds Benzenoids Benzene and substituted derivatives Phenylpyruvic acid derivatives Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Carbonyl compounds Carboxylic acids Cinnamic acids Coumaric acids and derivatives Dicarboxylic acids and derivatives Hydrocarbon derivatives Hydroxycinnamic acids Methoxybenzenes Methoxyphenols Organic oxides Phenoxy compounds Phenoxyacetic acid derivatives Styrenes 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic homomonocyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Cinnamic acid Cinnamic acid or derivatives Coumaric acid or derivatives Dicarboxylic acid or derivatives Enol-phenylpyruvate Ether Hydrocarbon derivative Hydroxycinnamic acid Hydroxycinnamic acid or derivatives Methoxybenzene Methoxyphenol Organic oxide Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Phenoxyacetate Styrene 2-oxo monocarboxylic acid logp 3.44 ALOGPS logs -4.58 ALOGPS solubility 1.03e-02 g/l ALOGPS logp 2.97 ChemAxon pka_strongest_acidic 2.96 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac (2Z)-2-{4-[(1E)-2-carboxyeth-1-en-1-yl]-2-methoxyphenoxy}-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid ChemAxon average_mass 320.041 ChemAxon mono_mass 317.953661148 ChemAxon smiles ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1 ChemAxon formula C14H10Cl4 ChemAxon inchi InChI=1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H ChemAxon inchikey AHJKRLASYNVKDZ-UHFFFAOYSA-N ChemAxon polar_surface_area 122.52 ChemAxon refractivity 101.2 ChemAxon polarizability 38.39 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 8 ChemAxon donor_count 3 ChemAxon physiological_charge -2 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 240952 Specdb::MsMs 240953 Specdb::MsMs 240954 Specdb::MsMs 243007 Specdb::MsMs 243008 Specdb::MsMs 243009 Barley Type 1 specific Hordeum vulgare 4513 Milk (Cow) Type 2 specific 0.31924 0.487 0.0162 uM Oat Type 1 specific Avena sativa 4498