Compound Identification
SMILES
COC1=C(O)C(C(C)=O)=C(\C=C\C(Cl)=O)C=C1
InChIKey
InChIKey=ZABQSJLUNLHLEY-GQCTYLIASA-N
Formula
C12H11ClO4
Mass
254.67
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
Hydroxycinnamic acids and derivatives Methoxyphenols Acetophenones Anisoles Aryl alkyl ketones Benzoyl derivatives Styrenes Methoxybenzenes Phenoxy compounds Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Acyl chlorides Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Cinnamic acid or derivatives - Hydroxycinnamic acid or derivatives - Methoxyphenol - Acetophenone - Phenoxy compound - Methoxybenzene - Anisole - Aryl alkyl ketone - Styrene - Phenol ether - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Acyl halide - Acyl chloride - 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