Compound Identification
SMILES
CCC1=CC(=O)OC2=CC(OCC3=CC=CC=C3F)=C(Cl)C=C12
InChIKey
InChIKey=CUUNIRXJIKNQDG-UHFFFAOYSA-N
Formula
C18H14ClFO3
Mass
332.76
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Coumarins and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Coumarins and derivatives
Alternative Parents
1-benzopyrans Pyranones and derivatives Fluorobenzenes Alkyl aryl ethers Aryl fluorides Aryl chlorides Heteroaromatic compounds Lactones Oxacyclic compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzopyran - 1-benzopyran - Alkyl aryl ether - Fluorobenzene - Halobenzene - Pyranone - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Oxacycle - Ether - Organoheterocyclic compound - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organofluoride - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound 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).
External Descriptors
Not available