Compound Identification
SMILES
CCC1=CC=C(C=C1)C(=O)CC1(O)C(=O)N(CC2=C(C)C=CC(C)=C2)C2=C1C=C(Br)C=C2
InChIKey
InChIKey=ZJXYRGKRUKGICX-UHFFFAOYSA-N
Formula
C27H26BrNO3
Mass
492.413
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
Indoles and derivatives p-Xylenes Benzoyl derivatives Aryl alkyl ketones Beta-hydroxy ketones Aryl bromides Tertiary carboxylic acid amides Tertiary alcohols Lactams Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Indole or derivatives - P-xylene - Xylene - Benzoyl - Aryl alkyl ketone - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Beta-hydroxy ketone - Benzenoid - Tertiary carboxylic acid amide - Tertiary alcohol - Carboxamide group - Lactam - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic 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