Compound Identification
SMILES
COC1=C(C=C(F)C=C1)C(=O)[C@H]1CCC[NH+](CC2=C3OCOC3=CC=C2)C1
InChIKey
InChIKey=OHRVPQJHVHOVRD-AWEZNQCLSA-O
Formula
C21H23FNO4
Mass
372.416
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
Benzodioxoles Anisoles Aryl alkyl ketones Phenoxy compounds Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Aralkylamines Fluorobenzenes Beta-amino ketones Aryl fluorides Piperidines Trialkylamines Acetals Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Aldehydes Organofluorides Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Benzodioxole - Anisole - Benzoyl - Phenol ether - Aryl alkyl ketone - Methoxybenzene - Phenoxy compound - Fluorobenzene - Aralkylamine - Halobenzene - Alkyl aryl ether - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Beta-aminoketone - Piperidine - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Azacycle - Oxacycle - Ether - Acetal - Organoheterocyclic compound - Aldehyde - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic cation - Aromatic heteropolycyclic 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