Compound Identification
SMILES
COC1=CC=C(C=C1)C1=NC(OCC(=O)C2=CC=C(Cl)C=C2)=C(C#N)C(=C1)C(F)(F)F
InChIKey
InChIKey=ALHJXJOPLGIZHZ-UHFFFAOYSA-N
Formula
C22H14ClF3N2O3
Mass
446.81
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
Phenylpyridines Phenoxy compounds 3-pyridinecarbonitriles Anisoles Aryl alkyl ketones Methoxybenzenes Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Aryl chlorides Heteroaromatic compounds Azacyclic compounds Nitriles Hydrocarbon derivatives Organic oxides Alkyl fluorides Organochlorides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - 2-phenylpyridine - Anisole - Benzoyl - Phenol ether - Aryl alkyl ketone - 3-pyridinecarbonitrile - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl halide - Benzenoid - Pyridine - Aryl chloride - Monocyclic benzene moiety - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Ether - Carbonitrile - Nitrile - Organonitrogen compound - Alkyl fluoride - Alkyl halide - Organic nitrogen compound - Organic oxide - Organofluoride - Hydrocarbon derivative - Cyanide - Organohalogen compound - Organochloride - 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