Compound Identification
SMILES
COC(=O)\C=C(\C(C)O)C(=O)C1=CC=CC=C1
InChIKey
InChIKey=RMMFBWQXAZFWSN-FLIBITNWSA-N
Formula
C13H14O4
Mass
234.251
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
Benzoyl derivatives Aryl ketones Fatty acid esters Beta-hydroxy ketones Alpha-branched alpha,beta-unsaturated ketones Methyl esters Enones Enoate esters Acryloyl compounds Secondary alcohols Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Butyrophenone - Benzoyl - Aryl ketone - Fatty acid ester - Beta-hydroxy ketone - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - Acryloyl-group - Alpha,beta-unsaturated ketone - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Enone - Secondary alcohol - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - Aromatic homomonocyclic 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