15-chloro-4,7-dimethyl-7-phenyl-3,11-dioxatetracyclo[8.7.0.02,6.012,17]heptadeca-1(10),2(6),4,12,14,16-hexaene

• ChemBase编号: 181947
• 分子式: C23H19ClO2
• 平均质量: 362.84876
• 单一同位素质量: 362.10735753
• SMILES: c12c3c(oc4c3cc(cc4)Cl)CCC(c1cc(o2)C)(c1ccccc1)C
• Canonical SMILES: Clc1ccc2c(c1)c1c(o2)CCC(c2c1oc(c2)C)(C)c1ccccc1
• InChI: InChI=1S/C23H19ClO2/c1-14-12-18-22(25-14)21-17-13-16(24)8-9-19(17)26-20(21)10-11-23(18,2)15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3
• InChIKey: CGECLQBCSRMVSY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 15-chloro-4,7-dimethyl-7-phenyl-3,11-dioxatetracyclo[8.7.0.0^2,^6.0^1^2,^1^7]heptadeca-1(10),2(6),4,12,14,16-hexaene
• IUPAC传统名: 15-chloro-4,7-dimethyl-7-phenyl-3,11-dioxatetracyclo[8.7.0.0^2,^6.0^1^2,^1^7]heptadeca-1(10),2(6),4,12,14,16-hexaene

登记号

• PubChem SID: 164237857
• PubChem CID: 2751460

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 6.1360965
• LogD (pH = 7.4): 6.1360965
• Log P: 6.1360965
• 摩尔折射率: 114.9065 cm^3
• 极化性: 42.282024 Å^3
• 极化表面积: 26.28 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds