(4-methoxy-2-methylphenyl)(1,2,3,4-tetrahydronaphthalen-1-yl)methanol

• ChemBase编号: 248027
• 分子式: C19H22O2
• 平均质量: 282.37678
• 单一同位素质量: 282.16197994
• SMILES: c1(C(C2c3c(CCC2)cccc3)O)c(cc(cc1)OC)C
• Canonical SMILES: COc1ccc(c(c1)C)C(C1CCCc2c1cccc2)O
• InChI: InChI=1S/C19H22O2/c1-13-12-15(21-2)10-11-16(13)19(20)18-9-5-7-14-6-3-4-8-17(14)18/h3-4,6,8,10-12,18-20H,5,7,9H2,1-2H3
• InChIKey: NKEDBDKFDAZMBU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (4-methoxy-2-methylphenyl)(1,2,3,4-tetrahydronaphthalen-1-yl)methanol
• IUPAC传统名: (4-methoxy-2-methylphenyl)(1,2,3,4-tetrahydronaphthalen-1-yl)methanol
• 别名: (4-methoxy-2-methylphenyl)(1,2,3,4-tetrahydronaphthalen-1-yl)methanol

登记号

• PubChem SID: 164303937
• PubChem CID: 62719511

理论计算性质

• Acid pKa: 14.143045
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 4.4937844
• LogD (pH = 7.4): 4.4937844
• Log P: 4.4937844
• 摩尔折射率: 85.7277 cm^3
• 极化性: 33.161724 Å^3
• 极化表面积: 29.46 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

• 疏水性(logP): 4.412

产品相关信息

• 纯度: 95%