Compound Identification
SMILES
COC1=CC=C(CC[C@@H](O)CC(O)=O)C=C1
InChIKey
InChIKey=IMWRDILXPDAUDN-SNVBAGLBSA-N
Formula
C12H16O4
Mass
224.256
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organic acids and derivatives
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Hydroxy acids and derivatives
Subclass
Medium-chain hydroxy acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Medium-chain hydroxy acids and derivatives
Alternative Parents
Phenoxy compounds Methoxybenzenes Medium-chain fatty acids Anisoles Hydroxy fatty acids Beta hydroxy acids and derivatives Alkyl aryl ethers Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Medium-chain hydroxy acid - Phenoxy compound - Anisole - Methoxybenzene - Medium-chain fatty acid - Phenol ether - Alkyl aryl ether - Beta-hydroxy acid - Hydroxy fatty acid - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Benzenoid - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as medium-chain hydroxy acids and derivatives. These are hydroxy acids with a 6 to 12 carbon atoms long side chain.
External Descriptors
Not available