Compound Identification
SMILES
C[C@H](OC1=C(Cl)C=C2C3=C(CCC3)C(=O)OC2=C1)C(=O)C1=CC=CC=C1
InChIKey
InChIKey=PVBFIENXKIWGBB-LBPRGKRZSA-N
Formula
C21H17ClO4
Mass
368.81
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
Coumarins and derivatives 1-benzopyrans Phenylpropanes Benzoyl derivatives Aryl alkyl ketones Pyranones and derivatives Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Lactones Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Coumarin - Benzopyran - 1-benzopyran - Phenylpropane - Benzoyl - Aryl alkyl ketone - Pyranone - Alkyl aryl ether - Benzenoid - Aryl chloride - Pyran - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Lactone - Ether - Organoheterocyclic compound - Oxacycle - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Organochloride - 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