1.0 2010-04-08 22:09:22 UTC 2019-11-26 03:04:17 UTC FDB010910 1-Phenyl-1,3-eicosanedione Constituent of the pollen of Helianthus annuus (sunflower). 1-Phenyl-1,3-eicosanedione is found in fats and oils. 1-Benzoyl-2-nonadecanone 1,3-Eicosanedione, 1-phenyl- Benzoylstearoyl methane Phenylicosane-1,3-dione C26H42O2 386.6105 386.318480588 1-phenylicosane-1,3-dione 1-phenylicosane-1,3-dione 58446-52-9 CCCCCCCCCCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1 InChI=1S/C26H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)23-26(28)24-20-17-16-18-21-24/h16-18,20-21H,2-15,19,22-23H2,1H3 LRQGFQDEQPZDQC-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 8.64 ALOGPS logs -7.17 ALOGPS solubility 2.64e-05 g/l ALOGPS logp 9.12 ChemAxon pka_strongest_acidic 8.93 ChemAxon pka_strongest_basic -7.2 ChemAxon iupac 1-phenylicosane-1,3-dione ChemAxon average_mass 386.6105 ChemAxon mono_mass 386.318480588 ChemAxon smiles CCCCCCCCCCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1 ChemAxon formula C26H42O2 ChemAxon inchi InChI=1S/C26H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)23-26(28)24-20-17-16-18-21-24/h16-18,20-21H,2-15,19,22-23H2,1H3 ChemAxon inchikey LRQGFQDEQPZDQC-UHFFFAOYSA-N ChemAxon polar_surface_area 34.14 ChemAxon refractivity 120 ChemAxon polarizability 50.75 ChemAxon rotatable_bond_count 19 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13126 Specdb::CMs 135246 Specdb::CMs 142980 Specdb::MsMs 85950 Specdb::MsMs 85951 Specdb::MsMs 85952 Specdb::MsMs 148149 Specdb::MsMs 148150 Specdb::MsMs 148151 Specdb::MsMs 2324188 Specdb::MsMs 2324189 Specdb::MsMs 2324190 Specdb::MsMs 2611064 Specdb::MsMs 2611065 Specdb::MsMs 2611066 HMDB32925 #<Reference:0x000055ce329249a0> Fats and oils Unknown generic