Compound Identification
SMILES
CC(C)(C)C(=O)C1=CC=C(COC2=CC3=C(C=C2)N(CC2=CC4=C(OCO4)C=C2Cl)C(C(O)=O)=C3C2=CC=CC=C2)C=C1
InChIKey
InChIKey=RBQFOQABZZQQOJ-UHFFFAOYSA-N
Formula
C35H30ClNO6
Mass
596.08
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
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Level 5
Ketones
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Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
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Level 6
Aryl ketones
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Level 5
Ketones
-
Subclass
Carbonyl compounds
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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
Indolecarboxylic acids and derivatives Phenylpyrroles N-alkylindoles Phenylpropanes Benzodioxoles Indoles Pyrrole 2-carboxylic acids Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Acetals Oxacyclic compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Aldehydes Organochlorides Organic oxides Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Indolecarboxylic acid derivative - 3-phenylpyrrole - N-alkylindole - Indole or derivatives - Benzodioxole - Phenylpropane - Indole - Benzoyl - Aryl alkyl ketone - Pyrrole-2-carboxylic acid or derivatives - Pyrrole-2-carboxylic acid - Alkyl aryl ether - Monocyclic benzene moiety - Aryl chloride - Benzenoid - Substituted pyrrole - Aryl halide - Heteroaromatic compound - Pyrrole - Acetal - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Aldehyde - Organohalogen compound - 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