(3-chlorophenyl)(4-methoxyphenyl)methanone

• ChemBase编号: 164374
• 分子式: C14H11ClO2
• 平均质量: 246.68894
• 单一同位素质量: 246.04475727
• SMILES: c1(C(=O)c2cccc(c2)Cl)ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)C(=O)c1cccc(c1)Cl
• InChI: InChI=1S/C14H11ClO2/c1-17-13-7-5-10(6-8-13)14(16)11-3-2-4-12(15)9-11/h2-9H,1H3
• InChIKey: QUFDKCFTORNAAH-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (3-chlorophenyl)(4-methoxyphenyl)methanone
• IUPAC传统名: (3-chlorophenyl)(4-methoxyphenyl)methanone
• 别名: 3'-Chloro-4-methoxybenzophenone; (3-Chlorophenyl)(4-methoxyphenyl)-methanone; (3-Chlorophenyl)(4-methoxyphenyl)methanone; 3-Chloro-4'-methoxybenzophenone

登记号

• CAS号: 13389-51-0
• PubChem SID: 162258509
• PubChem CID: 2724709

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.8789723
• LogD (pH = 7.4): 3.8789723
• Log P: 3.8789723
• 摩尔折射率: 67.9015 cm^3
• 极化性: 26.354034 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Solid

详细说明

Toronto Research Chemicals - C367925

A 4-Methoxybenzophenone derivative. Shows plant growth regulating activity, such as inhibition of shoot and root growth, induction of chlorosis, and a disturbance in phototropism or geotropism.

参考文献

• Yamada, O. et al.: Agri. Biol. Chem.38, 2017 (1974)