Compound Identification
SMILES
CCOC(=O)[C@](F)(Br)[C@H](O)C1=CC=CC=C1
InChIKey
InChIKey=OBDWXYGIANNMQE-KOLCDFICSA-N
Formula
C11H12BrFO3
Mass
291.116
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic acids and derivatives
-
Class
Hydroxy acids and derivatives
- Subclass Beta hydroxy acids and derivatives
-
Class
Hydroxy acids and derivatives
-
Superclass
Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Hydroxy acids and derivatives
Subclass
Beta hydroxy acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Beta hydroxy acids and derivatives
Alternative Parents
Fatty acid esters Benzene and substituted derivatives Alpha-halocarboxylic acid derivatives Fluorohydrins Secondary alcohols Carboxylic acid esters Bromohydrins Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl bromides Aromatic alcohols Alkyl fluorides Organofluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Beta-hydroxy acid - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Alpha-halocarboxylic acid derivative - Alpha-halocarboxylic acid or derivatives - Bromohydrin - Carboxylic acid ester - Secondary alcohol - Fluorohydrin - Halohydrin - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Alkyl bromide - Carbonyl group - Alcohol - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organofluoride - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as beta hydroxy acids and derivatives. These are compounds containing a carboxylic acid substituted with a hydroxyl group on the C3 carbon atom.
External Descriptors
Not available