1.0 2010-04-08 22:09:51 UTC 2019-11-26 03:05:30 UTC FDB011826 1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-3,5-heptanedione From Alpinia officinarum (lesser galangal). 1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-3,5-heptanedione is found in herbs and spices. 1-(4-Hydroxy-3-methoxyphenyl)-7-phenyl-3,5-heptanedione, 9CI C20H22O4 326.3863 326.151809192 1-(4-hydroxy-3-methoxyphenyl)-7-phenylheptane-3,5-dione 1-(4-hydroxy-3-methoxyphenyl)-7-phenylheptane-3,5-dione 83161-94-8 COC1=C(O)C=CC(CCC(=O)CC(=O)CCC2=CC=CC=C2)=C1 InChI=1S/C20H22O4/c1-24-20-13-16(9-12-19(20)23)8-11-18(22)14-17(21)10-7-15-5-3-2-4-6-15/h2-6,9,12-13,23H,7-8,10-11,14H2,1H3 NMQRUGZIKWUACB-UHFFFAOYSA-N belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain. Linear diarylheptanoids Organic compounds Phenylpropanoids and polyketides Diarylheptanoids Linear diarylheptanoids Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Anisoles Beta-diketones Gingerdiones Hydrocarbon derivatives Ketones Methoxybenzenes Organic oxides Phenoxy compounds 1,3-dicarbonyl compound 1,3-diketone 1-hydroxy-2-unsubstituted benzenoid Alkyl aryl ether Anisole Aromatic homomonocyclic compound Benzenoid Carbonyl group Ether Gingerdione Hydrocarbon derivative Ketone Linear 1,7-diphenylheptane skeleton Methoxybenzene Methoxyphenol Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol Phenol ether Phenoxy compound logp 3.64 ALOGPS logs -4.52 ALOGPS solubility 9.83e-03 g/l ALOGPS logp 4.42 ChemAxon pka_strongest_acidic 9.42 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 1-(4-hydroxy-3-methoxyphenyl)-7-phenylheptane-3,5-dione ChemAxon average_mass 326.3863 ChemAxon mono_mass 326.151809192 ChemAxon smiles COC1=C(O)C=CC(CCC(=O)CC(=O)CCC2=CC=CC=C2)=C1 ChemAxon formula C20H22O4 ChemAxon inchi InChI=1S/C20H22O4/c1-24-20-13-16(9-12-19(20)23)8-11-18(22)14-17(21)10-7-15-5-3-2-4-6-15/h2-6,9,12-13,23H,7-8,10-11,14H2,1H3 ChemAxon inchikey NMQRUGZIKWUACB-UHFFFAOYSA-N ChemAxon polar_surface_area 63.6 ChemAxon refractivity 93.18 ChemAxon polarizability 35.75 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14228 Specdb::CMs 43458 Specdb::CMs 130379 Specdb::CMs 138113 Specdb::MsMs 96285 Specdb::MsMs 96286 Specdb::MsMs 96287 Specdb::MsMs 160734 Specdb::MsMs 160735 Specdb::MsMs 160736 Specdb::MsMs 2260366 Specdb::MsMs 2260367 Specdb::MsMs 2260368 Specdb::MsMs 3077916 Specdb::MsMs 3077917 Specdb::MsMs 3077918 HMDB33710 #<Reference:0x000055ce319f85f8> Herbs and Spices Unknown generic