Compound Identification
SMILES
CC1=CC(=O)OC2=C1C=CC(OC(=O)C1=CC(F)=CC=C1)=C2
InChIKey
InChIKey=FONXRIAJUGZXJT-UHFFFAOYSA-N
Formula
C17H11FO4
Mass
298.269
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 3-halobenzoic acids and derivatives Benzoic acid esters Benzoyl derivatives Pyranones and derivatives Fluorobenzenes Aryl fluorides Heteroaromatic compounds Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organofluorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumarin - Benzoate ester - Benzopyran - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 1-benzopyran - Benzoic acid or derivatives - Benzoyl - Pyranone - Halobenzene - Fluorobenzene - Pyran - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Lactone - Carboxylic acid ester - Organoheterocyclic compound - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - 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