ClassyFire

Compound Identification

SMILES

OC(=O)C(=O)C=CCC(=O)C1=CC=CC=C1

InChIKey

InChIKey=QPGAZPBFRAAJBD-UHFFFAOYSA-N

Formula

C12H10O4

Mass

218.208

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

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

Medium-chain keto acids and derivatives Benzoyl derivatives Aryl alkyl ketones Unsaturated fatty acids Alpha-keto acids and derivatives Enones Alpha-hydroxy ketones Acryloyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Alkyl-phenylketone - Medium-chain keto acid - Benzoyl - Aryl alkyl ketone - Alpha-keto acid - Benzenoid - Unsaturated fatty acid - Keto acid - Monocyclic benzene moiety - Fatty acyl - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Alpha-hydroxy ketone - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - 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

CHEBI:64687 : enone - aromatic ketone - dioxo monocarboxylic acid

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