Compound Identification
SMILES
CC(C1=CC(Cl)=CC(Cl)=C1O)C1=C(O)C(CC2=CC(Cl)=CC(Br)=C2O)=CC(F)=C1
InChIKey
InChIKey=RZGACPUWTRDCEX-UHFFFAOYSA-N
Formula
C21H15BrCl3FO3
Mass
520.6
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Diarylheptanoids
- Subclass Linear diarylheptanoids
-
Class
Diarylheptanoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Diarylheptanoids
Subclass
Linear diarylheptanoids
Intermediate Tree Nodes
Not available
Direct Parent
Linear diarylheptanoids
Alternative Parents
Diphenylmethanes Dichlorobenzenes P-fluorophenols O-bromophenols O-chlorophenols P-chlorophenols Bromobenzenes Fluorobenzenes Aryl fluorides Aryl chlorides Aryl bromides Hydrocarbon derivatives Organobromides Organochlorides Organofluorides Organooxygen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Linear 1,7-diphenylheptane skeleton - Diphenylmethane - 1,3-dichlorobenzene - 4-halophenol - 2-halophenol - 4-fluorophenol - 4-chlorophenol - 2-bromophenol - 2-chlorophenol - Bromobenzene - Chlorobenzene - Fluorobenzene - Halobenzene - Phenol - Aryl halide - Benzenoid - Aryl fluoride - Aryl chloride - Aryl bromide - Monocyclic benzene moiety - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organofluoride - Organochloride - Organohalogen compound - Organobromide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.
External Descriptors
Not available