Compound Identification
SMILES
[O-]C(=O)CC[NH2+]CCC(=O)C1=CC=CC=C1
InChIKey
InChIKey=PUFGNQJLIZRYOP-UHFFFAOYSA-N
Formula
C12H15NO3
Mass
221.256
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
Beta amino acids and derivatives Benzoyl derivatives Aryl alkyl ketones Beta-amino ketones Quaternary ammonium salts Carboxylic acid salts Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Beta amino acid or derivatives - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Beta-aminoketone - Benzenoid - Quaternary ammonium salt - Carboxylic acid salt - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Organic zwitterion - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic salt - 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