Compound Identification
SMILES
CCOC(=O)C1C(CC(=CC1=O)C1=C(O)C=CC(C)=C1)C1=CC(Br)=CC=C1
InChIKey
InChIKey=RDHSVIVMQUOVDX-UHFFFAOYSA-N
Formula
C22H21BrO4
Mass
429.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
-
Subclass
Cresols
- Level 5 Para cresols
-
Subclass
Cresols
-
Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Cresols
Intermediate Tree Nodes
Not available
Direct Parent
Para cresols
Alternative Parents
Toluenes Cyclohexenones Bromobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl bromides 1,3-dicarbonyl compounds Carboxylic acid esters Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
P-cresol - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexenone - Toluene - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - 1,3-dicarbonyl compound - Cyclic ketone - Carboxylic acid ester - Ketone - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organohalogen compound - Organobromide - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as para cresols. These are compounds containing a para cresol moiety, which consists of a benzene ring bearing one hydroxyl group at ring positions 1 and 4.
External Descriptors
Not available