Compound Identification
SMILES
CC1=C(C)C(=O)C2(C)C(CC=C(C=C)C2C2=C(Cl)C=C(O)C=C2)C1=O
InChIKey
InChIKey=MDPVXKRKONBJNM-UHFFFAOYSA-N
Formula
C21H21ClO3
Mass
356.85
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
-
Subclass
Halophenols
-
Level 5
Chlorophenols
- Level 6 M-chlorophenols
-
Level 5
Chlorophenols
-
Subclass
Halophenols
-
Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Halophenols
Intermediate Tree Nodes
Chlorophenols
Direct Parent
M-chlorophenols
Alternative Parents
Cyclohexenones Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
3-chlorophenol - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexenone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Ketone - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as m-chlorophenols. These are chlorophenols carrying a iodine at the C3 position of the benzene ring.
External Descriptors
Not available