Compound Identification
SMILES
CCCCCC(=O)C1=C(O)C(Cl)=C(O)C=C1OC
InChIKey
InChIKey=CAIJPBNDCPPBFV-UHFFFAOYSA-N
Formula
C13H17ClO4
Mass
272.73
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
Butyrophenones Methoxyphenols Resorcinols Phenoxy compounds O-chlorophenols Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Chlorobenzenes Aryl chlorides Vinylogous acids Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Methoxyphenol - Phenoxy compound - Benzoyl - 2-halophenol - 2-chlorophenol - Phenol ether - Resorcinol - Aryl alkyl ketone - Methoxybenzene - Anisole - Chlorobenzene - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Vinylogous acid - Ether - Organohalogen compound - Organochloride - Organic oxide - Hydrocarbon derivative - 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