3,5-bis(propan-2-yl)phenyl phenyl 4-(propan-2-yl)phenyl phosphate

• ChemBase编号: 162332
• 分子式: C27H33O4P
• 平均质量: 452.522281
• 单一同位素质量: 452.21164617
• SMILES: O(P(=O)(Oc1ccc(cc1)C(C)C)Oc1cc(cc(c1)C(C)C)C(C)C)c1ccccc1
• Canonical SMILES: CC(c1ccc(cc1)OP(=O)(Oc1cc(cc(c1)C(C)C)C(C)C)Oc1ccccc1)C
• InChI: InChI=1S/C27H33O4P/c1-19(2)22-12-14-26(15-13-22)30-32(28,29-25-10-8-7-9-11-25)31-27-17-23(20(3)4)16-24(18-27)21(5)6/h7-21H,1-6H3
• InChIKey: YRHIJLBOQLOKIP-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3,5-bis(propan-2-yl)phenyl phenyl 4-(propan-2-yl)phenyl phosphate
• IUPAC传统名: 3,5-diisopropylphenyl 4-isopropylphenyl phenyl phosphate
• 别名: 3,5-Diisopropylphenyl 4-Isopropylphenyl Phenyl Phosphate; 3,5-Bis(isopropyl)phenyl 4-Isopropylphenyl Phenyl Phosphate

登记号

• PubChem SID: 162256467
• PubChem CID: 71314086

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 8.822681
• LogD (pH = 7.4): 8.822681
• Log P: 8.822681
• 摩尔折射率: 130.004 cm^3
• 极化性: 51.139015 Å^3
• 极化表面积: 44.76 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

详细说明

Toronto Research Chemicals - B451435

3,5-Bis(isopropyl)phenyl 4-Isopropylphenyl Phenyl Phosphate is an isopropylphenyl phosphate used as a chromatographic standard.