Compound Identification
SMILES
COC1=C(Br)C=C(C=C1)C(=O)CC1=NC(Cl)=CC=C1
InChIKey
InChIKey=PTBJOOYLMMCLFQ-UHFFFAOYSA-N
Formula
C14H11BrClNO2
Mass
340.6
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
-
Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Phenoxy compounds Anisoles Aryl alkyl ketones Methoxybenzenes Benzoyl derivatives 2-halopyridines Alkyl aryl ethers Bromobenzenes Aryl bromides Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organochlorides Organonitrogen compounds Organic oxides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Benzoyl - Phenol ether - Aryl alkyl ketone - Methoxybenzene - Anisole - Phenoxy compound - Halobenzene - Alkyl aryl ether - Bromobenzene - 2-halopyridine - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Benzenoid - Aryl bromide - Pyridine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Ether - Organochloride - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available