Compound Identification
SMILES
OC(=O)CC(=O)C1=CC=C(NCCCCCCCCCCCC#CC2=CC=C(Cl)C=C2)C=C1
InChIKey
InChIKey=GRMXATXHEHMGHQ-UHFFFAOYSA-N
Formula
C28H34ClNO3
Mass
468.03
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
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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
Phenylpropanoic acids Phenylalkylamines Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Secondary alkylarylamines Chlorobenzenes Beta-keto acids and derivatives 1,3-dicarbonyl compounds Aryl chlorides Beta-hydroxy ketones Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - 3-phenylpropanoic-acid - Benzoyl - Phenylalkylamine - Aniline or substituted anilines - Aryl alkyl ketone - Beta-keto acid - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Beta-hydroxy ketone - Keto acid - Benzenoid - 1,3-dicarbonyl compound - Amino acid or derivatives - Amino acid - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Secondary amine - Hydrocarbon derivative - Amine - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organic nitrogen compound - 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