Compound Identification
SMILES
CC1=CC(C)=C(O)C(=C1)C(=O)CC(Br)C(O)=O
InChIKey
InChIKey=UJMAEMOARHMKSS-UHFFFAOYSA-N
Formula
C12H13BrO4
Mass
301.136
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
Butyrophenones Xylenols m-Xylenes Para cresols Ortho cresols Gamma-keto acids and derivatives Benzoyl derivatives Aryl alkyl ketones Hydroxy fatty acids Halogenated fatty acids Vinylogous acids Alpha-halocarboxylic acids Monocarboxylic acids and derivatives Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Xylenol - M-xylene - Xylene - Aryl alkyl ketone - P-cresol - O-cresol - Gamma-keto acid - Benzoyl - Phenol - Hydroxy fatty acid - Halogenated fatty acid - Fatty acyl - Benzenoid - Keto acid - Monocyclic benzene moiety - Vinylogous acid - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - 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