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6′-Ethoxy-2′-hydroxyacetophenone - ≥95%, high purity , CAS No.2750-25-6
Basic Description
Synonyms
2750-25-6 | 6'-Ethoxy-2'-hydroxyacetophenone | 1-(2-ethoxy-6-hydroxyphenyl)ethanone | Ethanone, 1-(2-ethoxy-6-hydroxyphenyl)- | 1-(2-ethoxy-6-hydroxyphenyl)ethan-1-one | SCHEMBL1448829 | CHEMBL3274350 | DTXSID70399534 | 6-Ethoxy-2-hydroxyacetophenone,98% | MFCD04974092 | AKO
Specifications & Purity
≥95%
Shipped In
Normal
Taxonomic Classification
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
Acetophenones Phenoxy compounds Phenol ethers Benzoyl derivatives Aryl alkyl ketones Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Alkyl-phenylketone - Acetophenone - Phenoxy compound - Benzoyl - Phenol ether - Aryl alkyl ketone - Phenol - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Benzenoid - Vinylogous acid - Ether - Hydrocarbon derivative - Organic oxide - 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
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
1-(2-ethoxy-6-hydroxyphenyl)ethanone
INCHI
InChI=1S/C10H12O3/c1-3-13-9-6-4-5-8(12)10(9)7(2)11/h4-6,12H,3H2,1-2H3
InChIKey
FXKOWMXEFZGVHC-UHFFFAOYSA-N
Smiles
CCOC1=CC=CC(=C1C(=O)C)O
Isomeric SMILES
CCOC1=CC=CC(=C1C(=O)C)O
WGK Germany
3
Molecular Weight
180.2
Reaxy-Rn
2096514
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2096514&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
180.200 g/mol
XLogP3
2.100
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
180.079 Da
Monoisotopic Mass
180.079 Da
Topological Polar Surface Area
46.500 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
179.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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H2106031