4'-METHOXY-2-PHENYLACETOPHENONE - ≥98% , CAS No.1023-17-2

CAS: 1023-17-2 Cat. No.: M122557 分子式: C₁₅H₁₄O₂ 分子量: 226.278 EC番号: 899-788-4

GRADE & PURITY ≥98%

Synonyms

AS-10052 | STK358753 | AC-25702 | deoxy-4-methoxybenzoin | SR-01000513163-1 | 1-(4'-Methoxyphenyl)-2-phenylethan-1-one | 1-(4-methoxyphenyl)-2-phenylethan-1-one | 1-(4-methoxyphenyl)2-phenylethan-1-one | DTXSID80907346 | BIS-TRIS, >=98.0% (titration) | SC

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

AS-10052 | STK358753 | AC-25702 | deoxy-4-methoxybenzoin | SR-01000513163-1 | 1-(4'-Methoxyphenyl)-2-phenylethan-1-one | 1-(4-methoxyphenyl)-2-phenylethan-1-one | 1-(4-methoxyphenyl)2-phenylethan-1-one | DTXSID80907346 | BIS-TRIS, >=98.0% (titration) | SC

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

• パブケム・シド: 488188817
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488188817
• カノニカル・スマイル: COC1=CC=C(C=C1)C(=O)CC2=CC=CC=C2
• IUPAC Name: 1-(4-methoxyphenyl)-2-phenylethanone
• InChIKey: PLALKSRAHVYFOH-UHFFFAOYSA-N
• INCHI: 1S/C15H14O2/c1-17-14-9-7-13(8-10-14)15(16)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
• 異性体SMILES: COC1=CC=C(C=C1)C(=O)CC2=CC=CC=C2
• 分子量: 226.278
• Reaxy-Rn: 1642567
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1642567&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 分類 Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Alkyl-phenylketones Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Alkyl-phenylketone - Phenylketone - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Aryl alkyl ketone - Aryl ketone - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Ketone - Ether - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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.

DOI: 10.1186/s13321-016-0174-y

関連ターゲット（非人間）

Trypanosoma brucei (78846 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 分子量: 226.270 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 226.099 Da
• Monoisotopic Mass: 226.099 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 235.000
• 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

参考文献

1. Lixia Li, Feiyue Li, Manman Cui, Lijie Liu, Xiang Zhen, Jiayuan Wei, Jiabao Cui, Jianxun Dong, Jinxing Long, Mingdong Dong, Xiaobing Wang.  (2026)  Controlling Cleavage of Cα–Cβ Bonds in Lignin Induced by Photo-Driven Iron Salt at Simulated Natural Environment Conditions.  ACS Catalysis,      [PMID:] [10.1021/acscatal.5c08182]