Compound Identification
SMILES
[O-]C(=O)CCC(=O)CCC(=O)C1=CC=CC=C1
InChIKey
InChIKey=DCNLNHPQCXZOHD-UHFFFAOYSA-M
Formula
C13H13O4
Mass
233.244
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
-
Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Butyrophenones Medium-chain keto acids and derivatives Gamma-keto acids and derivatives Benzoyl derivatives Aryl alkyl ketones Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Medium-chain keto acid - Benzoyl - Aryl alkyl ketone - Gamma-keto acid - Monocyclic benzene moiety - Benzenoid - Keto acid - Carboxylic acid salt - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organic anion - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available