1.0 2010-04-08 22:08:47 UTC 2025-11-18 23:17:24 UTC FDB009770 Mastic gum It is used as a food additive . C21H23ClFNO2 375.864 375.140134897 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one haloperidol 61789-92-2 OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1 InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 LNEPOXFFQSENCJ-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 heteromonocyclic compounds Aralkylamines Aryl alkyl ketones Aryl chlorides Aryl fluorides Azacyclic compounds Benzoyl derivatives Butyrophenones Chlorobenzenes Fluorobenzenes Gamma-amino ketones Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Organopnictogen compounds Phenylbutylamines Phenylpiperidines Tertiary alcohols Trialkylamines Alcohol Alkyl-phenylketone Amine Aralkylamine Aromatic heteromonocyclic compound Aryl alkyl ketone Aryl chloride Aryl fluoride Aryl halide Azacycle Benzenoid Benzoyl Butyrophenone Chlorobenzene Fluorobenzene Gamma-aminoketone Halobenzene Hydrocarbon derivative Monocyclic benzene moiety Organic nitrogen compound Organic oxide Organochloride Organofluoride Organohalogen compound Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Phenylbutylamine Phenylpiperidine Piperidine Tertiary alcohol Tertiary aliphatic amine Tertiary amine aromatic ketone hydroxypiperidine monochlorobenzenes organofluorine compound tertiary alcohol logp 3.70 ALOGPS logs -4.93 ALOGPS solubility 4.46e-03 g/l ALOGPS logp 3.66 ChemAxon pka_strongest_acidic 13.96 ChemAxon pka_strongest_basic 8.05 ChemAxon iupac 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one ChemAxon average_mass 375.864 ChemAxon mono_mass 375.140134897 ChemAxon smiles OC1(CCN(CCCC(=O)C2=CC=C(F)C=C2)CC1)C1=CC=C(Cl)C=C1 ChemAxon formula C21H23ClFNO2 ChemAxon inchi InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 ChemAxon inchikey LNEPOXFFQSENCJ-UHFFFAOYSA-N ChemAxon polar_surface_area 40.54 ChemAxon refractivity 102.59 ChemAxon polarizability 39.15 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1021 Specdb::NmrOneD 2432 Specdb::NmrOneD 3120 Specdb::CMs 22864 Specdb::CMs 40393 Specdb::CMs 154283 Specdb::MsMs 50172 Specdb::MsMs 50173 Specdb::MsMs 50174 Specdb::MsMs 146055 Specdb::MsMs 146056 Specdb::MsMs 146057 Specdb::MsMs 440932 Specdb::MsMs 440933 Specdb::MsMs 440934 Specdb::MsMs 440935 Specdb::MsMs 440936 Specdb::MsMs 444365 Specdb::MsMs 444366 Specdb::MsMs 444367 Specdb::MsMs 444368 Specdb::MsMs 444369 Specdb::MsMs 444370 Specdb::MsMs 444371 Specdb::MsMs 444372 Specdb::MsMs 444373 Specdb::MsMs 450774 Specdb::MsMs 451075 Specdb::MsMs 451361 Specdb::MsMs 2226563 Specdb::MsMs 2227085 HMDB0014645