1.0 2010-04-08 22:09:35 UTC 2019-11-26 03:04:48 UTC FDB011319 7-(4-Hydroxyphenyl)-1-phenyl-4-hepten-3-one Constituent of rhizomes of Alpinia officinarum (lesser galangal). 7-(4-Hydroxyphenyl)-1-phenyl-4-hepten-3-one is found in herbs and spices. C19H20O2 280.3609 280.146329884 (4E)-7-(4-hydroxyphenyl)-1-phenylhept-4-en-3-one (4E)-7-(4-hydroxyphenyl)-1-phenylhept-4-en-3-one 100667-52-5 OC1=CC=C(CC\C=C\C(=O)CCC2=CC=CC=C2)C=C1 InChI=1S/C19H20O2/c20-18(13-10-16-6-2-1-3-7-16)9-5-4-8-17-11-14-19(21)15-12-17/h1-3,5-7,9,11-12,14-15,21H,4,8,10,13H2/b9-5+ VPCHZECKYCDVSA-WEVVVXLNSA-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 Acryloyl compounds Benzene and substituted derivatives Enones Hydrocarbon derivatives Ketones Organic oxides 1-hydroxy-2-unsubstituted benzenoid Acryloyl-group Alpha,beta-unsaturated ketone Aromatic homomonocyclic compound Benzenoid Carbonyl group Enone Hydrocarbon derivative Ketone Linear 1,7-diphenylheptane skeleton Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol logp 4.75 ALOGPS logs -5.00 ALOGPS solubility 2.78e-03 g/l ALOGPS logp 5.25 ChemAxon pka_strongest_acidic 10.29 ChemAxon pka_strongest_basic -4.7 ChemAxon iupac (4E)-7-(4-hydroxyphenyl)-1-phenylhept-4-en-3-one ChemAxon average_mass 280.3609 ChemAxon mono_mass 280.146329884 ChemAxon smiles OC1=CC=C(CC\C=C\C(=O)CCC2=CC=CC=C2)C=C1 ChemAxon formula C19H20O2 ChemAxon inchi InChI=1S/C19H20O2/c20-18(13-10-16-6-2-1-3-7-16)9-5-4-8-17-11-14-19(21)15-12-17/h1-3,5-7,9,11-12,14-15,21H,4,8,10,13H2/b9-5+ ChemAxon inchikey VPCHZECKYCDVSA-WEVVVXLNSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 87.12 ChemAxon polarizability 32.26 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11167 Specdb::CMs 43209 Specdb::CMs 130574 Specdb::CMs 138308 Specdb::MsMs 92085 Specdb::MsMs 92086 Specdb::MsMs 92087 Specdb::MsMs 155640 Specdb::MsMs 155641 Specdb::MsMs 155642 Specdb::MsMs 2272956 Specdb::MsMs 2272957 Specdb::MsMs 2272958 Specdb::MsMs 3068943 Specdb::MsMs 3068944 Specdb::MsMs 3068945 HMDB33295 #<Reference:0x000055ce30442448> Herbs and Spices Unknown generic