Compound Identification
SMILES
BrC1=CC=C(O1)C=CC(=O)OCC(=O)C1=CC=C(C=C1)C1=CC=CC=C1
InChIKey
InChIKey=GNYOVCGWCNKLBJ-UHFFFAOYSA-N
Formula
C21H15BrO4
Mass
411.251
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
Biphenyls and derivatives Benzoyl derivatives Aryl alkyl ketones Fatty acid esters Alpha-acyloxy ketones Aryl bromides Heteroaromatic compounds Furans Enoate esters Oxacyclic compounds Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Biphenyl - Benzoyl - Aryl alkyl ketone - Alpha-acyloxy ketone - Fatty acid ester - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Heteroaromatic compound - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Furan - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Aldehyde - Organobromide - Organic oxide - Organohalogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic 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