1.0 2016-06-03 12:29:38 UTC 2026-03-27 00:00:36 UTC 6-bromo-4-phenylchroman-2-one SmallMolecule 6-bromo-4-phenylchroman-2-one is an organic compound with the formula C15H11BrO2 and an average molecular weight of 303.15 g/mol. 6-bromo-4-phenylchroman-2-one belongs to the neoflavans, a subclass of neoflavonoids within the organic compounds. It is further classified within the superclass of phenylpropanoids and polyketides. This compound has been found in or released from drinking water and water supply, specifically drinking water. The recorded exposure route for this substance is oral. C15H11BrO2 303.155 301.994243 6-bromo-4-phenyl-3,4-dihydro-2H-1-benzopyran-2-one 6-bromo-4-phenyl-3,4-dihydro-1-benzopyran-2-one 156755-23-6 BrC1=CC2=C(OC(=O)CC2C2=CC=CC=C2)C=C1 InChI=1S/C15H11BrO2/c16-11-6-7-14-13(8-11)12(9-15(17)18-14)10-4-2-1-3-5-10/h1-8,12H,9H2 KFKFQGCDFMGUCH-UHFFFAOYSA-N Organic compounds Phenylpropanoids and polyketides Neoflavonoids Neoflavans Neoflavans 1-benzopyrans 3,4-dihydrocoumarins Aryl bromides Benzene and substituted derivatives Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Lactones Monocarboxylic acids and derivatives Organic oxides Organobromides Oxacyclic compounds 1-benzopyran 3,4-dihydrocoumarin Aromatic heteropolycyclic compound Aryl bromide Aryl halide Benzenoid Benzopyran Carbonyl group Carboxylic acid derivative Carboxylic acid ester Chromane Hydrocarbon derivative Lactone Monocarboxylic acid or derivatives Monocyclic benzene moiety Neoflavan Organic oxide Organic oxygen compound Organobromide Organohalogen compound Organoheterocyclic compound Organooxygen compound Oxacycle Aromatic heteropolycyclic compounds Detected and Not Quantified logp 4.46 ALOGPS logs -5.16 ALOGPS solubility 2.11e-03 g/l ALOGPS logp 4.08 ChemAxon pka_strongest_basic -7.2 ChemAxon iupac 6-bromo-4-phenyl-3,4-dihydro-2H-1-benzopyran-2-one ChemAxon average_mass 303.155 ChemAxon mono_mass 301.994243 ChemAxon smiles BrC1=CC2=C(OC(=O)CC2C2=CC=CC=C2)C=C1 ChemAxon formula C15H11BrO2 ChemAxon inchi InChI=1S/C15H11BrO2/c16-11-6-7-14-13(8-11)12(9-15(17)18-14)10-4-2-1-3-5-10/h1-8,12H,9H2 ChemAxon inchikey KFKFQGCDFMGUCH-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 72.72 ChemAxon polarizability 27.07 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7222aca648> 2924973 2198456