1.0 2010-04-08 22:11:15 UTC 2018-05-29 01:11:44 UTC FDB014397 3-Hydroxy-1-phenyl-1-heneicosanone Constituent of the pollen of Helianthus annuus (sunflower) 1-Benzoyl-2-eicosanol 3-Hydroxy-1-phenyl-1-heneicosanone C27H46O2 402.6529 402.349780716 3-hydroxy-1-phenylhenicosan-1-one 3-hydroxy-1-phenylhenicosan-1-one CCCCCCCCCCCCCCCCCCC(O)CC(=O)C1=CC=CC=C1 InChI=1S/C27H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(28)24-27(29)25-21-18-17-19-22-25/h17-19,21-22,26,28H,2-16,20,23-24H2,1H3 UTLRNQJMWYPIEJ-UHFFFAOYSA-N belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms. Long-chain fatty alcohols Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohols Aromatic homomonocyclic compounds Alkyl-phenylketones Aryl alkyl ketones Benzoyl derivatives Beta-hydroxy ketones Butyrophenones Hydrocarbon derivatives Organic oxides Secondary alcohols Alcohol Alkyl-phenylketone Aromatic homomonocyclic compound Aryl alkyl ketone Aryl ketone Benzenoid Benzoyl Beta-hydroxy ketone Butyrophenone Hydrocarbon derivative Ketone Long chain fatty alcohol Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenylketone Secondary alcohol logp 8.94 ALOGPS logs -7.14 ALOGPS solubility 2.91e-05 g/l ALOGPS logp 9 ChemAxon pka_strongest_acidic 14.82 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 3-hydroxy-1-phenylhenicosan-1-one ChemAxon average_mass 402.6529 ChemAxon mono_mass 402.349780716 ChemAxon smiles CCCCCCCCCCCCCCCCCCC(O)CC(=O)C1=CC=CC=C1 ChemAxon formula C27H46O2 ChemAxon inchi InChI=1S/C27H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(28)24-27(29)25-21-18-17-19-22-25/h17-19,21-22,26,28H,2-16,20,23-24H2,1H3 ChemAxon inchikey UTLRNQJMWYPIEJ-UHFFFAOYSA-N ChemAxon polar_surface_area 37.3 ChemAxon refractivity 125.42 ChemAxon polarizability 53.84 ChemAxon rotatable_bond_count 20 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23523 Specdb::CMs 44500 Specdb::CMs 132417 Specdb::CMs 140151 Specdb::MsMs 105771 Specdb::MsMs 105772 Specdb::MsMs 105773 Specdb::MsMs 172338 Specdb::MsMs 172339 Specdb::MsMs 172340 Specdb::MsMs 2424823 Specdb::MsMs 2424824 Specdb::MsMs 2424825 Specdb::MsMs 2510059 Specdb::MsMs 2510060 Specdb::MsMs 2510061 HMDB35681 #<Reference:0x000055ce33555008>