1.0 2010-04-08 22:09:09 UTC 2015-07-20 22:32:47 UTC FDB010493 1,3-Diphenyl-2-propanone Flavouring agent &alpha;,&alpha;'-diphenylacetone 1,3-Diphenyl-propan-2-one 1,3-Diphenylacetone 1,3-Diphenylpropanone alpha,alpha'-Diphenylacetone Benzyl ketone Dibenzyl ketone FEMA 2397 C15H14O 210.2711 210.10446507 1,3-diphenylpropan-2-one dibenzyl ketone 102-04-5 O=C(CC1=CC=CC=C1)CC1=CC=CC=C1 InChI=1S/C15H14O/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2 YFKBXYGUSOXJGS-UHFFFAOYSA-N belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together. Linear 1,3-diarylpropanoids Organic compounds Phenylpropanoids and polyketides Linear 1,3-diarylpropanoids Aromatic homomonocyclic compounds Benzene and substituted derivatives Hydrocarbon derivatives Ketones Organic oxides Aromatic homomonocyclic compound Benzenoid Carbonyl group Hydrocarbon derivative Ketone Linear 1,3-diarylpropanoid Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound logp 3.24 ALOGPS logs -4.26 ALOGPS solubility 1.15e-02 g/l ALOGPS melting_point Mp 35-36° logp 3.77 ChemAxon pka_strongest_acidic 15.09 ChemAxon pka_strongest_basic -7.5 ChemAxon iupac 1,3-diphenylpropan-2-one ChemAxon average_mass 210.2711 ChemAxon mono_mass 210.10446507 ChemAxon smiles O=C(CC1=CC=CC=C1)CC1=CC=CC=C1 ChemAxon formula C15H14O ChemAxon inchi InChI=1S/C15H14O/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2 ChemAxon inchikey YFKBXYGUSOXJGS-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 65.64 ChemAxon polarizability 23.96 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 96435 Specdb::MsMs 96436 Specdb::MsMs 96437 Specdb::MsMs 160917 Specdb::MsMs 160918 Specdb::MsMs 160919 Specdb::MsMs 2393983 Specdb::MsMs 2393984 Specdb::MsMs 2393985 Specdb::MsMs 2571248 Specdb::MsMs 2571249 Specdb::MsMs 2571250 Specdb::CMs 23760 Specdb::CMs 29552 Specdb::CMs 29641 Specdb::CMs 101160 Specdb::CMs 101161 Specdb::CMs 174265 Specdb::MsIr 5531 Specdb::MsIr 5532 HMDB32561 #<Reference:0x000055ce3317c698> almond benzaldehyde bitter plastic seedy