Compound Identification
SMILES
CCCCCC(OC1=CC=C(Cl)C=C1)C(O)=O
InChIKey
InChIKey=BGXDMDDPHYFROP-UHFFFAOYSA-N
Formula
C13H17ClO3
Mass
256.73
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenoxyacetic acid derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenoxyacetic acid derivatives
Alternative Parents
Phenoxy compounds Phenol ethers Medium-chain fatty acids Methyl-branched fatty acids Halogenated fatty acids Chlorobenzenes Alkyl aryl ethers Monosaccharides Aryl chlorides Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxyacetate - Phenoxy compound - Medium-chain fatty acid - Phenol ether - Methyl-branched fatty acid - Halogenated fatty acid - Halobenzene - Chlorobenzene - Branched fatty acid - Alkyl aryl ether - Fatty acyl - Fatty acid - Monosaccharide - Aryl halide - Aryl chloride - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
External Descriptors
Not available