Compound Identification
SMILES
CC[NH+](CC)C[C@@H](O)COC1=CC(C)=C(C=C1)C(C)C
InChIKey
InChIKey=VFUKWJKQXBTODT-OAHLLOKOSA-O
Formula
C17H30NO2
Mass
280.431
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Cumenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Cumenes
Intermediate Tree Nodes
Not available
Direct Parent
Cumenes
Alternative Parents
Phenylpropanes Phenoxy compounds Phenol ethers Toluenes Alkyl aryl ethers Quaternary ammonium salts Trialkylamines Secondary alcohols 1,2-aminoalcohols Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cumene - Phenylpropane - Phenoxy compound - Phenol ether - Alkyl aryl ether - Toluene - Quaternary ammonium salt - Secondary alcohol - 1,2-aminoalcohol - Tertiary aliphatic amine - Ether - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cumenes. These are aromatic compounds containing a prop-2-ylbenzene moiety.
External Descriptors
Not available