Compound Identification
SMILES
CCC1=C(OCCCCCC(C)(C)C(O)=O)C=C(O)C(=C1)C(C)=O
InChIKey
InChIKey=VIJHFKMETGRZHJ-UHFFFAOYSA-N
Formula
C19H28O5
Mass
336.428
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
Acetophenones Phenoxy compounds Phenol ethers Medium-chain fatty acids Benzoyl derivatives Aryl alkyl ketones Methyl-branched fatty acids Hydroxy fatty acids Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Acetophenone - Phenoxy compound - Benzoyl - Aryl alkyl ketone - Phenol ether - Medium-chain fatty acid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Branched fatty acid - Hydroxy fatty acid - Methyl-branched fatty acid - Phenol - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Benzenoid - Vinylogous acid - Carboxylic acid - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxide - 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