Compound Identification
SMILES
CCOC(=O)C1CC2=C(OC1=O)C=CC(F)=C2
InChIKey
InChIKey=FIEUJPYQDNJGSY-UHFFFAOYSA-N
Formula
C12H11FO4
Mass
238.214
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class 3,4-dihydrocoumarins
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
3,4-dihydrocoumarins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
3,4-dihydrocoumarins
Alternative Parents
1-benzopyrans Dicarboxylic acids and derivatives Benzenoids Aryl fluorides 1,3-dicarbonyl compounds Lactones Carboxylic acid esters Oxacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3,4-dihydrocoumarin - Chromane - Benzopyran - 1-benzopyran - Aryl fluoride - Aryl halide - Dicarboxylic acid or derivatives - 1,3-dicarbonyl compound - Benzenoid - Lactone - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3,4-dihydrocoumarins. These are 3,4-dihydrogenated coumarins. Coumarin is a bicyclic compound that a 1-benzopyran carrying an oxo group at the 2-position.
External Descriptors
Not available