Compound Identification
SMILES
OC(CN1C=NC=N1)(C(=O)C1=CC=CC=C1Cl)C1=CC=C(F)C=C1
InChIKey
InChIKey=QARPKUAWQUUIQC-UHFFFAOYSA-N
Formula
C17H13ClFN3O2
Mass
345.76
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Stilbenes
Subclass
Benzoins
Intermediate Tree Nodes
Not available
Direct Parent
Benzoins
Alternative Parents
Alkyl-phenylketones Aryl alkyl ketones Benzoyl derivatives Chlorobenzenes Fluorobenzenes Acyloins Aryl chlorides Aryl fluorides Heteroaromatic compounds Tertiary alcohols Alpha-hydroxy ketones Vinylogous halides Triazoles Azacyclic compounds Organofluorides Organonitrogen compounds Aromatic alcohols Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoin - Alkyl-phenylketone - Phenylketone - Benzoyl - Aryl ketone - Aryl alkyl ketone - Fluorobenzene - Halobenzene - Chlorobenzene - Aryl halide - Benzenoid - Monocyclic benzene moiety - Acyloin - Aryl fluoride - Aryl chloride - Heteroaromatic compound - Azole - Vinylogous halide - 1,2,4-triazole - Tertiary alcohol - Alpha-hydroxy ketone - Ketone - Azacycle - Organoheterocyclic compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic alcohol - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoins. These are organic compounds containing a 1,2-hydroxy ketone attached to two phenyl groups.
External Descriptors
Not available