Compound Identification
SMILES
COC1=C(C\C=C(/C)CCC(O)=O)C(Cl)=C(Br)C(C)=C1C
InChIKey
InChIKey=NNXMRBLCYGPCSC-WEVVVXLNSA-N
Formula
C16H20BrClO3
Mass
375.69
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenol ethers
- Subclass Anisoles
-
Class
Phenol ethers
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Anisoles
Intermediate Tree Nodes
Not available
Direct Parent
Anisoles
Alternative Parents
o-Xylenes Phenoxy compounds 1-bromo,2-chlorobenzenes Methoxybenzenes Medium-chain fatty acids Alkyl aryl ethers Methyl-branched fatty acids Halogenated fatty acids Chlorobenzenes Bromobenzenes Unsaturated fatty acids Aryl bromides Aryl chlorides Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxy compound - Anisole - Medium-chain fatty acid - O-xylene - Xylene - 1-bromo,2-chlorobenzene - Methoxybenzene - 1,2-dihalobenzene - Alkyl aryl ether - Branched fatty acid - Bromobenzene - Chlorobenzene - Halobenzene - Halogenated fatty acid - Methyl-branched fatty acid - Fatty acid - Fatty acyl - Monocyclic benzene moiety - Unsaturated fatty acid - Aryl bromide - Aryl chloride - Aryl halide - Carboxylic acid - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organobromide - Organochloride - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
External Descriptors
Not available