[2-methyl-3-(2H5)phenylphenyl]methanol

• ChemBase编号: 173389
• 分子式: C14H14O
• 平均质量: 198.26036
• 单一同位素质量: 198.10446507
• SMILES: c1(cccc(c1C)CO)c1ccccc1
• Canonical SMILES: OCc1cccc(c1C)c1ccccc1
• InChI: InChI=1S/C14H14O/c1-11-13(10-15)8-5-9-14(11)12-6-3-2-4-7-12/h2-9,15H,10H2,1H3
• InChIKey: BGTLHJPGBIVQLJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: [2-methyl-3-(^2H₅)phenylphenyl]methanol
• IUPAC传统名: [2-methyl-3-(^2H₅)phenylphenyl]methanol
• 别名: 2-Methyl-[1,1'-biphenyl]-3-methanol-d5; 2-Methyl-3-phenylbenzyl-d5 Alcohol; 2-Methylbiphenyl-3-ylmethanol-d5; 3-Hydroxymethyl-2-methylbiphenyl-d5; 2-Methyl-3-biphenylmethanol-d5

登记号

• PubChem SID: 164229299
• PubChem CID: 71750229

理论计算性质

• Acid pKa: 14.989897
• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): 3.3665428
• LogD (pH = 7.4): 3.3665428
• Log P: 3.3665428
• 摩尔折射率: 63.0513 cm^3
• 极化性: 25.654104 Å^3
• 极化表面积: 20.23 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Chloroform
• 外观: Off-White Solid

详细说明

Toronto Research Chemicals - M294132

Labelled Bifenthrin intermediate.

参考文献

• Hamed, M., et al.: J. Econ. Entomol., 81, 1295 (1988)
• Ruzo, Luis O., et al.: J. Agric. Food Chem., 36, 1040 (1988)