2-{4-[4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy}benzene-1,3,5-triol

• ChemBase编号: 129810
• 分子式: C24H18O12
• 平均质量: 498.39252
• 单一同位素质量: 498.07982602
• SMILES: c1c(O)cc(O)cc1Oc1c(O)cc(cc1O)Oc1c(O)cc(cc1O)Oc1c(O)cc(O)cc1O
• Canonical SMILES: Oc1cc(O)c(c(c1)O)Oc1cc(O)c(c(c1)O)Oc1cc(O)c(c(c1)O)Oc1cc(O)cc(c1)O
• InChI: InChI=1S/C24H18O12/c25-10-1-11(26)3-13(2-10)34-23-18(30)8-15(9-19(23)31)36-24-20(32)6-14(7-21(24)33)35-22-16(28)4-12(27)5-17(22)29/h1-9,25-33H
• InChIKey: YOFARVUPGKULPN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-{4-[4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy}benzene-1,3,5-triol
• IUPAC传统名: 2-{4-[4-(3,5-dihydroxyphenoxy)-3,5-dihydroxyphenoxy]-3,5-dihydroxyphenoxy}benzene-1,3,5-triol
• 别名: Tetraphlorethol C

登记号

• PubChem SID: 162224098
• PubChem CID: 71308282
• 维基百科标题: Tetraphlorethol_C

理论计算性质

• Acid pKa: 5.815683
• 质子受体: 9
• 质子供体: 9
• LogD (pH = 5.5): 3.5559824
• LogD (pH = 7.4): 0.9544376
• Log P: 3.7420194
• 摩尔折射率: 122.6085 cm^3
• 极化性: 46.95521 Å^3
• 极化表面积: 209.76 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false