Compound Identification
SMILES
COC1=CC=C(C=C1)C(=O)CCC(=O)OCC(=O)C1=CC(I)=CC=C1
InChIKey
InChIKey=BTEOXKDBSMCHCI-UHFFFAOYSA-N
Formula
C19H17IO5
Mass
452.244
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
-
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
Butyrophenones Phenoxy compounds Anisoles Aryl alkyl ketones Benzoyl derivatives Methoxybenzenes Gamma-keto acids and derivatives Alkyl aryl ethers Alpha-acyloxy ketones Iodobenzenes Fatty acid esters Aryl iodides Carboxylic acid esters Monocarboxylic acids and derivatives Organoiodides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Butyrophenone - Anisole - Benzoyl - Phenoxy compound - Gamma-keto acid - Phenol ether - Aryl alkyl ketone - Methoxybenzene - Alkyl aryl ether - Alpha-acyloxy ketone - Fatty acid ester - Halobenzene - Iodobenzene - Aryl iodide - Fatty acyl - Monocyclic benzene moiety - Benzenoid - Aryl halide - Keto acid - Carboxylic acid ester - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organohalogen compound - Organoiodide - 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