Compound Identification
SMILES
OC1=C(I)C=C(Br)C=C1C=C(C#N)C(=O)C1=CC=CC=C1
InChIKey
InChIKey=DUWDWDCZIDZRFA-UHFFFAOYSA-N
Formula
C16H9BrINO2
Mass
454.061
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Linear 1,3-diarylpropanoids
- Subclass Cinnamylphenols
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Class
Linear 1,3-diarylpropanoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Linear 1,3-diarylpropanoids
Subclass
Cinnamylphenols
Intermediate Tree Nodes
Not available
Direct Parent
Cinnamylphenols
Alternative Parents
P-bromophenols O-iodophenols Benzoyl derivatives Aryl ketones Iodobenzenes Bromobenzenes Alpha-branched alpha,beta-unsaturated ketones Enones Acryloyl compounds Vinyl iodides Vinyl bromides Nitriles Iodoalkenes Bromoalkenes Organopnictogen compounds Organoiodides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Cinnamylphenol - Aryl ketone - 4-bromophenol - 2-iodophenol - 2-halophenol - 4-halophenol - Benzoyl - Phenol - Iodobenzene - Halobenzene - Bromobenzene - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Monocyclic benzene moiety - Alpha,beta-unsaturated ketone - Enone - Acryloyl-group - Ketone - Iodoalkene - Bromoalkene - Haloalkene - Vinyl iodide - Vinyl halide - Vinyl bromide - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organoiodide - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as cinnamylphenols. These are organic compounds containing the 1,3-diphenylpropene moiety with one benzene ring bearing one or more hydroxyl groups.
External Descriptors
Not available