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

CAS: 1023-17-2 Cat. No.: M122557 분자식: C₁₅H₁₄O₂ 분자량: 226.278 EC 번호: 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

동의어

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

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

• Pubchem Sid: 488188817
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188817
• 정식 스마일: 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
• 이성체 SMILES: COC1=CC=C(C=C1)C(=O)CC2=CC=CC=C2
• 분자량: 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
    • 분류 Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: 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
• 설명: 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

관련 대상(비인간)

Trypanosoma brucei (78846 Activities)

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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 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

참고 문헌

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]