Compound Identification
SMILES
COC1=CC(C(=O)N2CCOC(COC3=C(C=CC(OC)=C3OC)C(C)=O)C2)=C(Br)C=C1
InChIKey
InChIKey=KBARDNOVAOHFPJ-UHFFFAOYSA-N
Formula
C23H26BrNO7
Mass
508.365
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl 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 - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
2-halobenzoic acids and derivatives Dimethoxybenzenes Acetophenones Morpholine carboxylic acids and derivatives Benzamides Phenoxy compounds Anisoles Aryl alkyl ketones Benzoyl derivatives Alkyl aryl ethers Bromobenzenes Aryl bromides Vinylogous halides Tertiary carboxylic acid amides Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - O-dimethoxybenzene - Dimethoxybenzene - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Acetophenone - Benzamide - Benzoic acid or derivatives - Morpholine-4-carboxylic acid or derivatives - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Aryl alkyl ketone - Alkyl aryl ether - Bromobenzene - Halobenzene - Oxazinane - Benzenoid - Morpholine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Vinylogous halide - Carboxamide group - Carboxylic acid derivative - Azacycle - Oxacycle - Ether - Organoheterocyclic compound - Dialkyl ether - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organobromide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available