CHEBI:79706 - 3-(4-chlorophenyl)-2H-1-benzopyran-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-(4-chlorophenyl)-2H-1-benzopyran-2-one
ChEBI ID CHEBI:79706
ChEBI ASCII Name 3-(4-chlorophenyl)-2H-1-benzopyran-2-one
Definition A member of the class of coumarins that is coumarin substituted by a 4-chlorophenyl group at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C15H9ClO2
Net Charge 0
Average Mass 256.68400
Monoisotopic Mass 256.02911
InChI InChI=1S/C15H9ClO2/c16-12-7-5-10(6-8-12)13-9-11-3-1-2-4-14(11)18-15(13)17/h1-9H
InChIKey BNYLKZRNTGQYAY-UHFFFAOYSA-N
SMILES Clc1ccc(cc1)-c1cc2ccccc2oc1=O
ChEBI Ontology
Outgoing 3-(4-chlorophenyl)-2H-1-benzopyran-2-one (CHEBI:79706) has functional parent coumarin (CHEBI:28794)
3-(4-chlorophenyl)-2H-1-benzopyran-2-one (CHEBI:79706) is a coumarins (CHEBI:23403)
3-(4-chlorophenyl)-2H-1-benzopyran-2-one (CHEBI:79706) is a monochlorobenzenes (CHEBI:83403)
IUPAC Name
3-(4-chlorophenyl)-2H-1-benzopyran-2-one
Synonyms Sources
3-(4-chlorophenyl)-2H-chromen-2-one ChEBI
3-(p-Chlorophenyl)coumarin KEGG COMPOUND
Manual Xref Database
C15189 KEGG COMPOUND
View more database links
Registry Number Type Source
192970 Reaxys Registry Number Reaxys
Last Modified
23 June 2015