Compound Identification
SMILES
COC(=O)N1CCCC[C@@H]1CC(=O)C1=CC(OC)=C(OC)C=C1Br
InChIKey
InChIKey=NQETUALIZPXKJX-LLVKDONJSA-N
Formula
C17H22BrNO5
Mass
400.269
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
Dimethoxybenzenes Piperidinecarboxylic acids Phenoxy compounds Anisoles Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Bromobenzenes Aryl bromides Vinylogous halides Methylcarbamates Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides Organonitrogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - O-dimethoxybenzene - Dimethoxybenzene - Piperidinecarboxylic acid - Anisole - Benzoyl - Phenoxy compound - Phenol ether - Aryl alkyl ketone - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Benzenoid - Piperidine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Carbamic acid ester - Vinylogous halide - Methylcarbamate - Organoheterocyclic compound - Azacycle - Ether - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organic oxide - 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