1.0 2010-04-08 22:05:05 UTC 2025-11-18 22:32:40 UTC FDB001718 2'-Methoxy-4'-hydroxydihydrochalcone 2'-methoxy-4'-hydroxydihydrochalcone is a member of the class of compounds known as cinnamylphenols. Cinnamylphenols are organic compounds containing the 1,3-diphenylpropene moiety with one benzene ring bearing one or more hydroxyl groups. Thus, 2'-methoxy-4'-hydroxydihydrochalcone is considered to be a flavonoid lipid molecule. 2'-methoxy-4'-hydroxydihydrochalcone is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 2'-methoxy-4'-hydroxydihydrochalcone can be found in black crowberry, which makes 2'-methoxy-4'-hydroxydihydrochalcone a potential biomarker for the consumption of this food product. C16H16O3 256.2964 256.109944378 1-(4-hydroxy-2-methoxyphenyl)-3-phenylpropan-1-one 1-(4-hydroxy-2-methoxyphenyl)-3-phenylpropan-1-one 145544-40-7 COC1=C(C=CC(O)=C1)C(=O)CCC1=CC=CC=C1 InChI=1S/C16H16O3/c1-19-16-11-13(17)8-9-14(16)15(18)10-7-12-5-3-2-4-6-12/h2-6,8-9,11,17H,7,10H2,1H3 CSEOFFVAVSWEAR-UHFFFAOYSA-N belongs to the class of organic compounds known as cinnamylphenols. These are organic compounds containing the 1,3-diphenylpropene moiety with one benzene ring bearing one or more hydroxyl groups. Cinnamylphenols Organic compounds Phenylpropanoids and polyketides Linear 1,3-diarylpropanoids Cinnamylphenols Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Alkyl-phenylketones Anisoles Aryl alkyl ketones Benzoyl derivatives Butyrophenones Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Organic oxides Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Alkyl-phenylketone Anisole Aromatic homomonocyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzoyl Butyrophenone Cinnamylphenol Ether Hydrocarbon derivative Ketone Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound Phenylketone Chalcones and dihydrochalcones logp 3.61 ALOGPS logs -3.68 ALOGPS solubility 5.39e-02 g/l ALOGPS logp 3.35 ChemAxon pka_strongest_acidic 7.82 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 1-(4-hydroxy-2-methoxyphenyl)-3-phenylpropan-1-one ChemAxon average_mass 256.2964 ChemAxon mono_mass 256.109944378 ChemAxon smiles COC1=C(C=CC(O)=C1)C(=O)CCC1=CC=CC=C1 ChemAxon formula C16H16O3 ChemAxon inchi InChI=1S/C16H16O3/c1-19-16-11-13(17)8-9-14(16)15(18)10-7-12-5-3-2-4-6-12/h2-6,8-9,11,17H,7,10H2,1H3 ChemAxon inchikey CSEOFFVAVSWEAR-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 74.23 ChemAxon polarizability 28.01 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 95568 Specdb::MsMs 103236 Specdb::MsMs 103237 Specdb::MsMs 103238 Specdb::MsMs 169218 Specdb::MsMs 169219 Specdb::MsMs 169220 Black crowberry Type 1 specific Empetrum nigrum 191066