Compound Identification
SMILES
OC1=CC=C(CC2CNC(CC3=CC(Br)=C(O)C=C3)CN2)C=C1
InChIKey
InChIKey=AFTSJTDIEXNESJ-UHFFFAOYSA-N
Formula
C18H21BrN2O2
Mass
377.282
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
-
Subclass
Halophenols
-
Level 5
Bromophenols
- Level 6 O-bromophenols
-
Level 5
Bromophenols
-
Subclass
Halophenols
-
Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Halophenols
Intermediate Tree Nodes
Bromophenols
Direct Parent
O-bromophenols
Alternative Parents
Bromobenzenes Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Piperazines Aryl bromides Dialkylamines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-bromophenol - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Aralkylamine - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-bromophenols. These are bromophenols carrying a iodine at the C2 position of the benzene ring.
External Descriptors
Not available