Compound Identification
SMILES
CC(=O)C1=CC(Br)=C(C=C1O)N1CCOCC1
InChIKey
InChIKey=UIIQTSNYFUGQRK-UHFFFAOYSA-N
Formula
C12H14BrNO3
Mass
300.152
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
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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
Phenylmorpholines Acetophenones m-Aminophenols P-bromophenols 2-bromoanilines Aryl alkyl ketones Benzoyl derivatives Dialkylarylamines 1-hydroxy-2-unsubstituted benzenoids Bromobenzenes Aryl bromides Vinylogous acids Azacyclic compounds Oxacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenylmorpholine - Acetophenone - M-aminophenol - Aminophenol - Benzoyl - 4-halophenol - 4-bromophenol - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - 2-bromoaniline - Aryl alkyl ketone - 1-hydroxy-2-unsubstituted benzenoid - Bromobenzene - Halobenzene - Phenol - Benzenoid - Oxazinane - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Morpholine - Vinylogous acid - Tertiary amine - Azacycle - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Organic oxide - Organohalogen compound - Organobromide - Amine - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - 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