Compound Identification
SMILES
CCCC1=C(OCC(O)COC2=C(Cl)C=C(C=C2)C#N)C=CC(C(C)=O)=C1O
InChIKey
InChIKey=NLRZGTWWMGIVAT-UHFFFAOYSA-N
Formula
C21H22ClNO5
Mass
403.86
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 Phenylpropanes Phenoxy compounds Phenol ethers Aryl alkyl ketones Benzonitriles Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Chlorobenzenes Aryl chlorides Vinylogous acids Secondary alcohols Nitriles Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Acetophenone - Phenylpropane - Benzonitrile - Benzoyl - Phenol ether - Phenoxy compound - Aryl alkyl ketone - 1-hydroxy-4-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Alkyl aryl ether - Phenol - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Secondary alcohol - Nitrile - Carbonitrile - Ether - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Cyanide - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen 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