Compound Identification
SMILES
OC[C@]12C=C(I)C(CC1C1=CC=CC=C1)[C@]1(CO1)C2=O
InChIKey
InChIKey=SFZSRBJFXQJCMU-DCNYZXSGSA-N
Formula
C16H15IO3
Mass
382.197
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Cyclic ketones
- Level 7 Cyclohexenones
-
Level 6
Cyclic 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 - Cyclic ketones
Direct Parent
Cyclohexenones
Alternative Parents
Benzene and substituted derivatives Vinyl iodides Oxacyclic compounds Iodoalkenes Epoxides Dialkyl ethers Primary alcohols Organoiodides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cyclohexenone - Monocyclic benzene moiety - Benzenoid - Dialkyl ether - Oxirane - Ether - Vinyl halide - Vinyl iodide - Organoheterocyclic compound - Haloalkene - Oxacycle - Iodoalkene - Alcohol - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organoiodide - Primary alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cyclohexenones. These are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.
External Descriptors
Not available