(3-methoxyphenyl)(4-methylphenyl)methanone

• ChemBase编号: 173009
• 分子式: C15H14O2
• 平均质量: 226.27046
• 单一同位素质量: 226.09937969
• SMILES: c1(cccc(c1)C(=O)c1ccc(cc1)C)OC
• Canonical SMILES: COc1cccc(c1)C(=O)c1ccc(cc1)C
• InChI: InChI=1S/C15H14O2/c1-11-6-8-12(9-7-11)15(16)13-4-3-5-14(10-13)17-2/h3-10H,1-2H3
• InChIKey: KZQIJMIURWFUIS-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (3-methoxyphenyl)(4-methylphenyl)methanone
• IUPAC传统名: (3-methoxyphenyl)(4-methylphenyl)methanone
• 别名: (3-Methoxyphenyl)(4-methylphenyl)methanone; 3-Methoxy-4'-methylbenzophenone

登记号

• CAS号: 82520-37-4
• PubChem SID: 164228919
• PubChem CID: 54881

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.788349
• LogD (pH = 7.4): 3.788349
• Log P: 3.788349
• 摩尔折射率: 68.1379 cm^3
• 极化性: 26.276762 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

• 溶解度: Dichloromethane; Ethyl Acetate; Methanol
• 外观: Viscus Yellow Oil
• 沸点: 145-150°C at 0.6 mm Hg