4-{1-[4-(5-fluoro-2-methoxyphenyl)phenyl]ethyl}morpholine

• ChemBase编号: 629901
• 分子式: C19H22FNO2
• 平均质量: 315.3818832
• 单一同位素质量: 315.16345717
• SMILES: c1(c2ccc(C(N3CCOCC3)C)cc2)c(ccc(c1)F)OC
• Canonical SMILES: COc1ccc(cc1c1ccc(cc1)C(N1CCOCC1)C)F
• InChI: InChI=1S/C19H22FNO2/c1-14(21-9-11-23-12-10-21)15-3-5-16(6-4-15)18-13-17(20)7-8-19(18)22-2/h3-8,13-14H,9-12H2,1-2H3
• InChIKey: ASNAIQXFMXXDGM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-{1-[4-(5-fluoro-2-methoxyphenyl)phenyl]ethyl}morpholine
• IUPAC传统名: 4-{1-[4-(5-fluoro-2-methoxyphenyl)phenyl]ethyl}morpholine
• 别名: 4-[1-(5'-fluoro-2'-methoxybiphenyl-4-yl)ethyl]morpholine

理论计算性质

JChem

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 1.7434524
• LogD (pH = 7.4): 3.3850095
• Log P: 3.7449732
• 摩尔折射率: 89.9098 cm^3
• 极化性: 35.985607 Å^3
• 极化表面积: 21.7 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 3
• 质子供体: 0
• Log P: 3.73
• LOG S: -3.68
• 极化表面积: 21.7 Å^2
• 可自由旋转的化学键: 4