Compound Identification
SMILES
C[N+]1(CC(=O)C2=CC=C(Br)C=C2)CCOCC1
InChIKey
InChIKey=BBRSOWCQORKGLC-UHFFFAOYSA-N
Formula
C13H17BrNO2
Mass
299.187
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
Aryl alkyl ketones Benzoyl derivatives Bromobenzenes Aryl bromides Morpholines Tetraalkylammonium salts Alpha-amino ketones Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organic salts Organobromides Amines Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Morpholine - Oxazinane - Benzenoid - Quaternary ammonium salt - Tetraalkylammonium salt - Alpha-aminoketone - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Hydrocarbon derivative - Amine - Organic oxide - Organohalogen compound - Organobromide - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organic salt - Organic cation - 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