Compound Identification
SMILES
CCCC1=C(OCC2=CC(Br)=C(C=C2)C(O)=O)C=CC(C(C)=O)=C1O
InChIKey
InChIKey=ZJRYYRGHQYOJOS-UHFFFAOYSA-N
Formula
C19H19BrO5
Mass
407.26
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 Halobenzoic acids Phenylpropanes Acetophenones Benzoic acids 1-carboxy-2-haloaromatic compounds Phenoxy compounds Phenol ethers Aryl alkyl ketones Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Bromobenzenes Aryl bromides Vinylogous halides Vinylogous acids Organic oxides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - Halobenzoic acid - Acetophenone - Benzoic acid or derivatives - Benzoic acid - Phenylpropane - Phenoxy compound - Benzoyl - Phenol ether - 1-carboxy-2-haloaromatic compound - Aryl alkyl ketone - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Bromobenzene - Halobenzene - Phenol - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl bromide - Vinylogous acid - Vinylogous halide - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organohalogen compound - Organobromide - Hydrocarbon derivative - Aromatic homomonocyclic 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