Compound Identification
SMILES
OC(C(CC1=CC(OC(F)(F)C(F)F)=CC=C1)C([O-])=O)C1=CC=C(Br)C=C1
InChIKey
InChIKey=HBYPREKJJYXSSF-UHFFFAOYSA-M
Formula
C18H14BrF4O4
Mass
450.204
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
Phenylpropanoic acids Phenoxy compounds Phenol ethers Beta hydroxy acids and derivatives Bromobenzenes Aryl bromides Secondary alcohols Carboxylic acid salts Carboxylic acids Monocarboxylic acids and derivatives Alkyl fluorides Carbonyl compounds Organic oxides Organobromides Organofluorides Hydrocarbon derivatives Aromatic alcohols Organic anions
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Linear 1,3-diarylpropanoid - 3-phenylpropanoic-acid - Phenoxy compound - Phenol ether - Beta-hydroxy acid - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Hydroxy acid - Carboxylic acid salt - Secondary alcohol - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organofluoride - Organobromide - Alkyl fluoride - Organooxygen compound - Alcohol - Organohalogen compound - Carbonyl group - Aromatic alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Organic anion - 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