Compound Identification
SMILES
COC(=O)CCC(=O)C1=C2C=CC=C3CCC(C=C1)=C23
InChIKey
InChIKey=FQIDWHIAQSZKLO-UHFFFAOYSA-N
Formula
C17H16O3
Mass
268.312
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Butyrophenones
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Butyrophenones
Intermediate Tree Nodes
Not available
Direct Parent
Butyrophenones
Alternative Parents
Naphthalenes Gamma-keto acids and derivatives Aryl alkyl ketones Fatty acid methyl esters Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Butyrophenone - Naphthalene - Gamma-keto acid - Aryl ketone - Aryl alkyl ketone - Fatty acid methyl ester - Fatty acid ester - Keto acid - Fatty acyl - Methyl ester - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as butyrophenones. These are compounds containing 1-phenylbutan-1-one moiety.
External Descriptors
Not available