Compound Identification
SMILES
O=C(OCC(=O)C1=CC=CC=C1)C=CC1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=VVNKYRQKXCRKTI-UHFFFAOYSA-N
Formula
C18H14O5
Mass
310.305
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
Coumaric acids and derivatives Cinnamic acid esters Benzodioxoles Styrenes Benzoyl derivatives Aryl alkyl ketones Fatty acid esters Alpha-acyloxy ketones Enoate esters Oxacyclic compounds Monocarboxylic acids and derivatives Acetals Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Cinnamic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid ester - Benzodioxole - Benzoyl - Styrene - Aryl alkyl ketone - Fatty acid ester - Alpha-acyloxy ketone - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Acetal - Oxacycle - Carboxylic acid derivative - Aldehyde - Hydrocarbon derivative - Organic oxide - 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