1.0 2026-09-21 16:33:23 UTC 2026-09-21 16:33:23 UTC FDB116736 4-formyl-7-(3-chlorobenzyloxy)coumarin 7-[(3-chlorophenyl)methoxy]-2-oxo-chromene-4-carbaldehyde 7-[(3-chlorophenyl)methoxy]-2-oxochromene-4-carbaldehyde C17H11ClO4 314.72 314.034586547 7-[(3-chlorophenyl)methoxy]-2-oxo-2H-chromene-4-carbaldehyde 7-[(3-chlorophenyl)methoxy]-2-oxochromene-4-carbaldehyde ClC1=CC=CC(COC2=CC=C3C(OC(=O)C=C3C=O)=C2)=C1 InChI=1S/C17H11ClO4/c18-13-3-1-2-11(6-13)10-21-14-4-5-15-12(9-19)7-17(20)22-16(15)8-14/h1-9H,10H2 ZOCADHRNWNJARU-UHFFFAOYSA-N belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one). Coumarins and derivatives Organic compounds Phenylpropanoids and polyketides Coumarins and derivatives Aromatic heteropolycyclic compounds 1-benzopyrans Alkyl aryl ethers Aryl chlorides Aryl-aldehydes Chlorobenzenes Heteroaromatic compounds Hydrocarbon derivatives Lactones Organic oxides Organochlorides Oxacyclic compounds Pyranones and derivatives 1-benzopyran Aldehyde Alkyl aryl ether Aromatic heteropolycyclic compound Aryl chloride Aryl halide Aryl-aldehyde Benzenoid Benzopyran Chlorobenzene Coumarin Ether Halobenzene Heteroaromatic compound Hydrocarbon derivative Lactone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organochloride Organohalogen compound Organoheterocyclic compound Organooxygen compound Oxacycle Pyran Pyranone logp 4.05 ALOGPS logs -4.96 ALOGPS solubility 3.46e-03 g/l ALOGPS logp 3.29 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 7-[(3-chlorophenyl)methoxy]-2-oxo-2H-chromene-4-carbaldehyde ChemAxon average_mass 314.72 ChemAxon mono_mass 314.034586547 ChemAxon smiles ClC1=CC=CC(COC2=CC=C3C(OC(=O)C=C3C=O)=C2)=C1 ChemAxon formula C17H11ClO4 ChemAxon inchi InChI=1S/C17H11ClO4/c18-13-3-1-2-11(6-13)10-21-14-4-5-15-12(9-19)7-17(20)22-16(15)8-14/h1-9H,10H2 ChemAxon inchikey ZOCADHRNWNJARU-UHFFFAOYSA-N ChemAxon polar_surface_area 52.6 ChemAxon refractivity 82.5 ChemAxon polarizability 31.28 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 6407 Specdb::MsMs 247362 Specdb::MsMs 247363 Specdb::MsMs 247364 Specdb::MsMs 267306 Specdb::MsMs 267307 Specdb::MsMs 267308