1.0 2010-04-08 22:09:34 UTC 2019-11-26 03:04:48 UTC FDB011318 5-Methoxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone Constituent of Alpinia officinarum (lesser galangal). 5-Methoxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone is found in herbs and spices. 5-Methoxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone 7-(4-Hydroxyphenyl)-5-methoxy-1-phenyl-3-heptanone C20H24O3 312.4028 312.172544634 7-(4-hydroxyphenyl)-5-methoxy-1-phenylheptan-3-one 7-(4-hydroxyphenyl)-5-methoxy-1-phenylheptan-3-one 100667-53-6 COC(CCC1=CC=C(O)C=C1)CC(=O)CCC1=CC=CC=C1 InChI=1S/C20H24O3/c1-23-20(14-10-17-7-11-18(21)12-8-17)15-19(22)13-9-16-5-3-2-4-6-16/h2-8,11-12,20-21H,9-10,13-15H2,1H3 XXVCRBHITJEJAY-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 Benzene and substituted derivatives Dialkyl ethers Hydrocarbon derivatives Ketones Organic oxides 1-hydroxy-2-unsubstituted benzenoid Aromatic homomonocyclic compound Benzenoid Carbonyl group Dialkyl ether Ether Hydrocarbon derivative Ketone Linear 1,7-diphenylheptane skeleton Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenol logp 4.18 ALOGPS logs -4.82 ALOGPS solubility 4.74e-03 g/l ALOGPS melting_point Mp 68-70° logp 4.66 ChemAxon pka_strongest_acidic 10.3 ChemAxon pka_strongest_basic -4.1 ChemAxon iupac 7-(4-hydroxyphenyl)-5-methoxy-1-phenylheptan-3-one ChemAxon average_mass 312.4028 ChemAxon mono_mass 312.172544634 ChemAxon smiles COC(CCC1=CC=C(O)C=C1)CC(=O)CCC1=CC=CC=C1 ChemAxon formula C20H24O3 ChemAxon inchi InChI=1S/C20H24O3/c1-23-20(14-10-17-7-11-18(21)12-8-17)15-19(22)13-9-16-5-3-2-4-6-16/h2-8,11-12,20-21H,9-10,13-15H2,1H3 ChemAxon inchikey XXVCRBHITJEJAY-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 92.29 ChemAxon polarizability 35.7 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22784 Specdb::CMs 43208 Specdb::CMs 130596 Specdb::CMs 138330 Specdb::MsMs 7202 Specdb::MsMs 7203 Specdb::MsMs 7204 Specdb::MsMs 13874 Specdb::MsMs 13875 Specdb::MsMs 13876 Specdb::MsMs 2765102 Specdb::MsMs 2765103 Specdb::MsMs 2765104 Specdb::MsMs 2944153 Specdb::MsMs 2944154 Specdb::MsMs 2944155 HMDB33294 #<Reference:0x000055ce3024a6e0> Herbs and Spices Unknown generic