Compound Identification
SMILES
COC1=CC(O)=C(C=C1)C(=O)O[C@H](C)C(=O)C1=CC=C(OC(F)F)C=C1
InChIKey
InChIKey=NTZPUXCQWGUDRG-SNVBAGLBSA-N
Formula
C18H16F2O6
Mass
366.317
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
o-Hydroxybenzoic acid esters P-methoxybenzoic acids and derivatives Methoxyphenols Salicylic acid and derivatives Phenylpropanes Anisoles Aryl alkyl ketones Benzoyl derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Carboxylic acid esters Hydrocarbon derivatives Alkyl fluorides Organic oxides Organofluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - P-methoxybenzoic acid or derivatives - O-hydroxybenzoic acid ester - Benzoate ester - Methoxyphenol - Salicylic acid or derivatives - Benzoic acid or derivatives - Phenylpropane - Methoxybenzene - Aryl alkyl ketone - Anisole - Phenol ether - Phenoxy compound - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Carboxylic acid ester - Carboxylic acid derivative - Ether - Organohalogen compound - Organofluoride - Organic oxide - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - 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