Compound Identification
SMILES
CC(=O)C1=CC(O)=CC(Br)=C1O
InChIKey
InChIKey=MDDZTZFPYBVFKK-UHFFFAOYSA-N
Formula
C8H7BrO3
Mass
231.045
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
Acetophenones 1,4-dihydroxy-2-halobenzenoids O-bromophenols M-bromophenols Hydroquinones Benzoyl derivatives Aryl alkyl ketones Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Vinylogous acids Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - 1,4-dihydroxy-2-halobenzenoid - Acetophenone - Benzoyl - 3-halophenol - 2-halophenol - Aryl alkyl ketone - Hydroquinone - 3-bromophenol - 2-bromophenol - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Halobenzene - Phenol - Aryl bromide - Monocyclic benzene moiety - Benzenoid - Aryl halide - Vinylogous acid - Hydrocarbon derivative - Organic oxide - Organobromide - Organohalogen compound - 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