Compound Identification
SMILES
COC1=C(COC(=O)C=CC2=CC(OC)=C(OC)C(Cl)=C2)C=C(C=C1)C(C)=O
InChIKey
InChIKey=GDOPTZGPBSQSJY-UHFFFAOYSA-N
Formula
C21H21ClO6
Mass
404.84
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
Coumaric acids and derivatives Cinnamic acid esters Dimethoxybenzenes Benzyloxycarbonyls Acetophenones Styrenes Phenoxy compounds Anisoles Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Fatty acid esters Chlorobenzenes Aryl chlorides Enoate esters Monocarboxylic acids and derivatives Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Coumaric acid or derivatives - Cinnamic acid or derivatives - Cinnamic acid ester - O-dimethoxybenzene - Dimethoxybenzene - Benzyloxycarbonyl - Acetophenone - Phenoxy compound - Phenol ether - Styrene - Methoxybenzene - Aryl alkyl ketone - Benzoyl - Anisole - Chlorobenzene - Fatty acid ester - Halobenzene - Alkyl aryl ether - Fatty acyl - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - Organochloride - Organohalogen 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