1.0 2010-04-08 22:06:32 UTC 2025-11-18 22:58:15 UTC FDB005105 Citflavanone Citflavanone is a member of the class of compounds known as diphenylmethanes. Diphenylmethanes are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. Citflavanone is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Citflavanone can be found in sweet orange, which makes citflavanone a potential biomarker for the consumption of this food product. 1,3-Bis(4-cyanophenyl)propane 2,2-Bis-(4-cyanatophenyl)propane 4-(1-(4-(Cyanooxy)phenyl)-1-methylethyl)phenyl cyanate AmbsicPOD_02/0239 Citflavanone Cyanic acid, (1-methylethylidene)di-4,1-phenylene ester C17H14N2O2 278.3053 278.105527702 4-{2-[4-(cyanooxy)phenyl]propan-2-yl}phenyl cyanate 4-{2-[4-(cyanooxy)phenyl]propan-2-yl}phenyl cyanate CC(C)(C1=CC=C(OC#N)C=C1)C1=CC=C(OC#N)C=C1 InChI=1S/C17H14N2O2/c1-17(2,13-3-7-15(8-4-13)20-11-18)14-5-9-16(10-6-14)21-12-19/h3-10H,1-2H3 AHZMUXQJTGRNHT-UHFFFAOYSA-N belongs to the class of organic compounds known as diphenylmethanes. Diphenylmethanes are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. Diphenylmethanes Organic compounds Benzenoids Benzene and substituted derivatives Diphenylmethanes Aromatic homomonocyclic compounds Cyanates Hydrocarbon derivatives Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Phenoxy compounds Phenylpropanes Aromatic homomonocyclic compound Diphenylmethane Hydrocarbon derivative Organic cyanate Organic nitrogen compound Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenoxy compound Phenylpropane logp 4.20 ALOGPS logs -4.78 ALOGPS solubility 4.64e-03 g/l ALOGPS logp 4.3 ChemAxon pka_strongest_basic -5.4 ChemAxon iupac 4-{2-[4-(cyanooxy)phenyl]propan-2-yl}phenyl cyanate ChemAxon average_mass 278.3053 ChemAxon mono_mass 278.105527702 ChemAxon smiles CC(C)(C1=CC=C(OC#N)C=C1)C1=CC=C(OC#N)C=C1 ChemAxon formula C17H14N2O2 ChemAxon inchi InChI=1S/C17H14N2O2/c1-17(2,13-3-7-15(8-4-13)20-11-18)14-5-9-16(10-6-14)21-12-19/h3-10H,1-2H3 ChemAxon inchikey AHZMUXQJTGRNHT-UHFFFAOYSA-N ChemAxon polar_surface_area 66.04 ChemAxon refractivity 90.16 ChemAxon polarizability 29.27 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 4 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 80169 Specdb::MsMs 80170 Specdb::MsMs 80171 Specdb::MsMs 140970 Specdb::MsMs 140971 Specdb::MsMs 140972 Specdb::MsMs 3601373 Specdb::MsMs 3601374 Specdb::MsMs 3601375 Specdb::MsMs 3601376 Specdb::MsMs 3601377 Specdb::MsMs 3601378 Sweet orange Type 1 specific Citrus sinensis 2711