1.0 2010-04-08 22:11:10 UTC 2019-11-26 03:09:45 UTC FDB014272 1-Phenyl-1,3-pentadecanedione Constituent of the pollen of Helianthus annuus (sunflower). 1-Phenyl-1,3-pentadecanedione is found in fats and oils. 1-Benzoyl-2-tetradecanone C21H32O2 316.4776 316.240230268 1-phenylpentadecane-1,3-dione 1-phenylpentadecane-1,3-dione CCCCCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1 InChI=1S/C21H32O2/c1-2-3-4-5-6-7-8-9-10-14-17-20(22)18-21(23)19-15-12-11-13-16-19/h11-13,15-16H,2-10,14,17-18H2,1H3 LRUAQNOCINSQGB-UHFFFAOYSA-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 Aryl alkyl ketones Benzoyl derivatives Beta-diketones Butyrophenones Hydrocarbon derivatives Organic oxides 1,3-dicarbonyl compound 1,3-diketone Alkyl-phenylketone Aromatic homomonocyclic compound Aryl alkyl ketone Benzenoid Benzoyl Butyrophenone Hydrocarbon derivative Monocyclic benzene moiety Organic oxide logp 6.81 ALOGPS logs -6.38 ALOGPS solubility 1.31e-04 g/l ALOGPS logp 6.9 ChemAxon pka_strongest_acidic 8.93 ChemAxon pka_strongest_basic -7.2 ChemAxon iupac 1-phenylpentadecane-1,3-dione ChemAxon average_mass 316.4776 ChemAxon mono_mass 316.240230268 ChemAxon smiles CCCCCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1 ChemAxon formula C21H32O2 ChemAxon inchi InChI=1S/C21H32O2/c1-2-3-4-5-6-7-8-9-10-14-17-20(22)18-21(23)19-15-12-11-13-16-19/h11-13,15-16H,2-10,14,17-18H2,1H3 ChemAxon inchikey LRUAQNOCINSQGB-UHFFFAOYSA-N ChemAxon polar_surface_area 34.14 ChemAxon refractivity 96.99 ChemAxon polarizability 39.95 ChemAxon rotatable_bond_count 14 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19967 Specdb::CMs 134915 Specdb::CMs 142649 Specdb::MsMs 106572 Specdb::MsMs 106573 Specdb::MsMs 106574 Specdb::MsMs 173364 Specdb::MsMs 173365 Specdb::MsMs 173366 Specdb::MsMs 2376047 Specdb::MsMs 2376048 Specdb::MsMs 2376049 Specdb::MsMs 2560077 Specdb::MsMs 2560078 Specdb::MsMs 2560079 HMDB35580 #<Reference:0x000055ce30af7a68> Fats and oils Unknown generic