Compound Identification
SMILES
[Br-].COC1=CC(=CC(OC)=C1OC)C(=O)C[NH2+]C(C)CC1=CC=CC=C1
InChIKey
InChIKey=SHCIZOHWCGLFHY-UHFFFAOYSA-N
Formula
C20H26BrNO4
Mass
424.335
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
Amphetamines and derivatives Phenylpropanes Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Alkyl aryl ethers Aralkylamines Alpha-amino ketones Dialkylamines Hydrocarbon derivatives Organic bromide salts Organic oxides Organic zwitterions Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Amphetamine or derivatives - Phenylpropane - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Aryl alkyl ketone - Phenol ether - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Alpha-aminoketone - Secondary aliphatic amine - Ether - Secondary amine - Organopnictogen compound - Organic nitrogen compound - Organic salt - Organic bromide salt - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organic zwitterion - Amine - Aromatic homomonocyclic 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