2-methoxy-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

• ChemBase编号: 310139
• 分子式: C13H19BO4
• 平均质量: 250.09856
• 单一同位素质量: 250.13763949
• SMILES: B1(c2c(c(OC)ccc2)O)OC(C(O1)(C)C)(C)C
• Canonical SMILES: COc1cccc(c1O)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C13H19BO4/c1-12(2)13(3,4)18-14(17-12)9-7-6-8-10(16-5)11(9)15/h6-8,15H,1-5H3
• InChIKey: IRKDHCQUMBNYFG-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methoxy-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
• IUPAC传统名: 2-methoxy-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenol
• 别名: 2-methoxy-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol

理论计算性质

• 质子受体: 4
• 质子供体: 1
• LogD (pH = 5.5): 3.363134
• LogD (pH = 7.4): 3.3503003
• Log P: 3.3633
• 摩尔折射率: 64.1572 cm^3
• 极化性: 27.125357 Å^3
• 极化表面积: 47.92 Å^2