4-[(5-fluoro-2-methoxyphenyl)methyl]-2-(6-methoxynaphthalen-2-yl)morpholine

• ChemBase编号: 330736
• 分子式: C23H24FNO3
• 平均质量: 381.4399632
• 单一同位素质量: 381.17402185
• SMILES: c1(CN2CC(c3cc4c(cc(cc4)OC)cc3)OCC2)c(ccc(c1)F)OC
• Canonical SMILES: COc1ccc2c(c1)ccc(c2)C1OCCN(C1)Cc1cc(F)ccc1OC
• InChI: InChI=1S/C23H24FNO3/c1-26-21-7-5-16-11-18(4-3-17(16)13-21)23-15-25(9-10-28-23)14-19-12-20(24)6-8-22(19)27-2/h3-8,11-13,23H,9-10,14-15H2,1-2H3
• InChIKey: FKGZIVJRIBCNLK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[(5-fluoro-2-methoxyphenyl)methyl]-2-(6-methoxynaphthalen-2-yl)morpholine
• IUPAC传统名: 4-[(5-fluoro-2-methoxyphenyl)methyl]-2-(6-methoxynaphthalen-2-yl)morpholine
• 别名: 4-(5-fluoro-2-methoxybenzyl)-2-(6-methoxy-2-naphthyl)morpholine

理论计算性质

JChem

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 3.3591135
• LogD (pH = 7.4): 4.2570863
• Log P: 4.2972183
• 摩尔折射率: 107.551 cm^3
• 极化性: 42.799175 Å^3
• 极化表面积: 30.93 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 4
• 质子供体: 0
• Log P: 4.36
• LOG S: -4.7
• 极化表面积: 30.93 Å^2
• 可自由旋转的化学键: 5