2-methoxy-6-{[2-(2-methoxyethyl)morpholin-4-yl]methyl}phenol

• ChemBase编号: 473539
• 分子式: C15H23NO4
• 平均质量: 281.34742
• 单一同位素质量: 281.16270822
• SMILES: c1(c(c(OC)ccc1)O)CN1CC(OCC1)CCOC
• Canonical SMILES: COCCC1OCCN(C1)Cc1cccc(c1O)OC
• InChI: InChI=1S/C15H23NO4/c1-18-8-6-13-11-16(7-9-20-13)10-12-4-3-5-14(19-2)15(12)17/h3-5,13,17H,6-11H2,1-2H3
• InChIKey: ZPUYPLACPMBUHY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-methoxy-6-{[2-(2-methoxyethyl)morpholin-4-yl]methyl}phenol
• IUPAC传统名: 2-methoxy-6-{[2-(2-methoxyethyl)morpholin-4-yl]methyl}phenol
• 别名: 2-methoxy-6-{[2-(2-methoxyethyl)morpholin-4-yl]methyl}phenol

理论计算性质

JChem

• Acid pKa: 9.20735
• 质子受体: 5
• 质子供体: 1
• LogD (pH = 5.5): -0.5679292
• LogD (pH = 7.4): 1.0054463
• Log P: 1.1809969
• 摩尔折射率: 77.6984 cm^3
• 极化性: 30.369587 Å^3
• 极化表面积: 51.16 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 5
• 质子供体: 1
• Log P: 1.19
• LOG S: -1.26
• 极化表面积: 51.16 Å^2
• 可自由旋转的化学键: 6