Compound Identification
SMILES
CC1(CCC(=O)C2=CC3=C(OCO3)C=C2Br)OCCO1
InChIKey
InChIKey=KZXYNWWIGNJNSK-UHFFFAOYSA-N
Formula
C14H15BrO5
Mass
343.173
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Butyrophenones
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Butyrophenones
Intermediate Tree Nodes
Not available
Direct Parent
Butyrophenones
Alternative Parents
Benzodioxoles Aryl alkyl ketones Ketals Aryl bromides Vinylogous halides 1,3-dioxolanes Oxacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Butyrophenone - Benzodioxole - Aryl alkyl ketone - Aryl ketone - Ketal - Aryl bromide - Aryl halide - Meta-dioxolane - Vinylogous halide - Ketone - Acetal - Oxacycle - Organoheterocyclic compound - Aldehyde - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as butyrophenones. These are compounds containing 1-phenylbutan-1-one moiety.
External Descriptors
Not available