Compound Identification
SMILES
OC1(CC(=O)C2=CC=C(I)C=C2)C(=O)N(CC2=CC=CC=C2)C2=CC=CC=C12
InChIKey
InChIKey=GUWPEZQIJNFBQA-UHFFFAOYSA-N
Formula
C23H18INO3
Mass
483.305
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 Benzoyl derivatives Aryl alkyl ketones b'-hydroxy-alpha,beta-unsaturated ketones Iodobenzenes Pyrrolidine-2-ones N-alkylpyrrolidines N-acyl amines Beta-hydroxy ketones Alpha-branched alpha,beta-unsaturated ketones Tertiary carboxylic acid amides Tertiary alcohols Enones Acryloyl compounds Lactams Vinyl iodides Iodoalkenes Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Indole or derivatives - Aryl alkyl ketone - Benzoyl - B'-hydroxy-alpha,beta-unsaturated-ketone - Iodobenzene - Halobenzene - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - N-alkylpyrrolidine - 2-pyrrolidone - Pyrrolidone - N-acyl-amine - Beta-hydroxy ketone - Monocyclic benzene moiety - Alpha,beta-unsaturated ketone - Tertiary carboxylic acid amide - Tertiary alcohol - Pyrrolidine - Enone - Acryloyl-group - Lactam - Carboxamide group - Azacycle - Iodoalkene - Haloalkene - Organoheterocyclic compound - Vinyl iodide - Vinyl halide - Carboxylic acid derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organoiodide - Organohalogen compound - Alcohol - 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