Compound Identification
SMILES
COC1=CC=C(COC2=C(C=CC=C2Br)C2C(=O)OC3=CC=CC=C23)C=C1
InChIKey
InChIKey=FLXBPBJDYVJNHN-UHFFFAOYSA-N
Formula
C22H17BrO4
Mass
425.278
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Coumarans
- Subclass 1-phenylcoumarans
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Class
Coumarans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Coumarans
Subclass
1-phenylcoumarans
Intermediate Tree Nodes
Not available
Direct Parent
1-phenylcoumarans
Alternative Parents
Benzofurans Phenoxy compounds Methoxybenzenes Anisoles Bromobenzenes Alkyl aryl ethers Aryl bromides Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylcoumaran - Benzofuran - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Lactone - Carboxylic acid ester - Ether - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-phenylcoumarans. These are compounds containing a coumaran ring system substituted at the 1-position with phenyl group.
External Descriptors
Not available