Compound Identification
SMILES
[O-]C(=O)C(CCCCCCBr)CC1=CC=CC=C1
InChIKey
InChIKey=LNEYKKUVEWXXBV-UHFFFAOYSA-M
Formula
C15H20BrO2
Mass
312.228
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Phenylpropanoic acids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Phenylpropanoic acids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanoic acids
Alternative Parents
Medium-chain fatty acids Halogenated fatty acids Branched fatty acids Benzene and substituted derivatives Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides Organic anions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-phenylpropanoic-acid - Medium-chain fatty acid - Branched fatty acid - Halogenated fatty acid - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Benzenoid - Carboxylic acid salt - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Alkyl bromide - Alkyl halide - Organohalogen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic anion - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
External Descriptors
Not available