1.0 2010-04-08 22:10:05 UTC 2019-11-26 03:06:30 UTC FDB012267 2-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxy-6-methoxyacetophenone Constituent of Dioscorea bulbifera (air potato). 2-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxy-6-methoxyacetophenone is found in root vegetables. 1-[2-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxy-6-methoxyphenyl]ethanone, 9CI C19H26O3 302.4079 302.188194698 1-{2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-4-hydroxy-6-methoxyphenyl}ethan-1-one 1-{2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-4-hydroxy-6-methoxyphenyl}ethanone 121379-44-0 COC1=C(C(C)=O)C(C\C=C(/C)CCC=C(C)C)=CC(O)=C1 InChI=1S/C19H26O3/c1-13(2)7-6-8-14(3)9-10-16-11-17(21)12-18(22-5)19(16)15(4)20/h7,9,11-12,21H,6,8,10H2,1-5H3/b14-9+ JUCDMGAOGQOSAG-NTEUORMPSA-N belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. Alkyl-phenylketones Organic compounds Organic oxygen compounds Organooxygen compounds Carbonyl compounds Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Acetophenones Alkyl aryl ethers Anisoles Aromatic monoterpenoids Aryl alkyl ketones Benzoyl derivatives Hydrocarbon derivatives Methoxybenzenes Methoxyphenols Monocyclic monoterpenoids Organic oxides Phenoxy compounds 1-hydroxy-2-unsubstituted benzenoid Acetophenone Alkyl aryl ether Alkyl-phenylketone Anisole Aromatic homomonocyclic compound Aromatic monoterpenoid Aryl alkyl ketone Benzenoid Benzoyl Ether Hydrocarbon derivative Methoxybenzene Methoxyphenol Monocyclic benzene moiety Monocyclic monoterpenoid Monoterpenoid Organic oxide Phenol Phenol ether Phenoxy compound logp 4.49 ALOGPS logs -4.92 ALOGPS solubility 3.61e-03 g/l ALOGPS melting_point Mp 225° logp 4.46 ChemAxon pka_strongest_acidic 7.77 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 1-{2-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-4-hydroxy-6-methoxyphenyl}ethan-1-one ChemAxon average_mass 302.4079 ChemAxon mono_mass 302.188194698 ChemAxon smiles COC1=C(C(C)=O)C(C\C=C(/C)CCC=C(C)C)=CC(O)=C1 ChemAxon formula C19H26O3 ChemAxon inchi InChI=1S/C19H26O3/c1-13(2)7-6-8-14(3)9-10-16-11-17(21)12-18(22-5)19(16)15(4)20/h7,9,11-12,21H,6,8,10H2,1-5H3/b14-9+ ChemAxon inchikey JUCDMGAOGQOSAG-NTEUORMPSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 92.95 ChemAxon polarizability 35.33 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16527 Specdb::CMs 43663 Specdb::CMs 171951 Specdb::MsMs 86532 Specdb::MsMs 86533 Specdb::MsMs 86534 Specdb::MsMs 148848 Specdb::MsMs 148849 Specdb::MsMs 148850 Specdb::MsMs 2365216 Specdb::MsMs 2365217 Specdb::MsMs 2365218 Specdb::MsMs 2596564 Specdb::MsMs 2596565 Specdb::MsMs 2596566 HMDB34028 #<Reference:0x000055ce323abde8> Root vegetables Unknown generic