Compound Identification
SMILES
COC(=O)C1=C(C)C=C(C)C(C(C)=O)=C1O
InChIKey
InChIKey=BKADTSVUOBTGLD-UHFFFAOYSA-N
Formula
C12H14O4
Mass
222.24
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
o-Hydroxybenzoic acid esters Salicylic acid and derivatives Acetophenones m-Xylenes Meta cresols Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Methyl esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - O-hydroxybenzoic acid ester - Benzoate ester - Salicylic acid or derivatives - Acetophenone - Benzoic acid or derivatives - M-xylene - Benzoyl - M-cresol - Xylene - Aryl alkyl ketone - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Methyl ester - Vinylogous acid - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - 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