Compound Identification
SMILES
COC1=CC=CC=C1C=CC(=O)C1=C(OCCCC(O)=O)C=CC(Cl)=C1
InChIKey
InChIKey=FTQKZEFOUOXKOU-UHFFFAOYSA-N
Formula
C20H19ClO5
Mass
374.82
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Linear 1,3-diarylpropanoids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Linear 1,3-diarylpropanoids
Alternative Parents
Cinnamic acids and derivatives Anisoles Aryl ketones Benzoyl derivatives Styrenes Methoxybenzenes Phenoxy compounds Chlorobenzenes Alkyl aryl ethers Aryl chlorides Enones Acryloyl compounds Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Linear 1,3-diarylpropanoid - Cinnamic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Styrene - Aryl ketone - Methoxybenzene - Anisole - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Aryl halide - Acryloyl-group - Enone - Alpha,beta-unsaturated ketone - Ketone - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organic oxygen compound - Carbonyl group - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together.
External Descriptors
Not available