Compound Identification
SMILES
COC(=O)C1=CC(C(C)=O)=C(O)C(Br)=C1
InChIKey
InChIKey=RUCFCAIVBNFCSY-UHFFFAOYSA-N
Formula
C10H9BrO4
Mass
273.082
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
p-Hydroxybenzoic acid alkyl esters 3-halobenzoic acids and derivatives Acetophenones O-bromophenols Benzoyl derivatives Aryl alkyl ketones Bromobenzenes Aryl bromides Vinylogous acids Methyl esters Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - Benzoate ester - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Acetophenone - Benzoic acid or derivatives - Benzoyl - 2-halophenol - 2-bromophenol - Aryl alkyl ketone - Halobenzene - Bromobenzene - Phenol - Aryl bromide - Monocyclic benzene moiety - Aryl halide - Benzenoid - Vinylogous acid - Methyl ester - Carboxylic acid ester - Carboxylic acid derivative - Organobromide - Organohalogen compound - 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