Structure Information
Structure

Compound Identification

SMILES

COC1=C(C=C(C=C1)C1=CC(=O)OC1)C(C)=O

InChIKey

InChIKey=PTNTZAYEADFZLE-UHFFFAOYSA-N

Formula

C13H12O4

Mass

232.235

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Taxonomic Classification

Taxonomy Tree

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

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Alkyl-phenylketone - Acetophenone - Benzoyl - Phenol ether - Aryl alkyl ketone - Methoxybenzene - Anisole - Phenoxy compound - Alkyl aryl ether - Benzenoid - 2-furanone - Monocyclic benzene moiety - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Dihydrofuran - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic 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

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