3-(2-methoxyphenyl)-4-oxo-4H-chromen-7-yl 5-ethoxy-2-phenyl-1-benzofuran-3-carboxylate

• ChemBase编号: 192532
• 分子式: C33H24O7
• 平均质量: 532.53946
• 单一同位素质量: 532.15220311
• SMILES: c1(c(oc2c1cc(cc2)OCC)c1ccccc1)C(=O)Oc1cc2c(c(=O)c(co2)c2c(OC)cccc2)cc1
• Canonical SMILES: CCOc1ccc2c(c1)c(C(=O)Oc1ccc3c(c1)occ(c3=O)c1ccccc1OC)c(o2)c1ccccc1
• InChI: InChI=1S/C33H24O7/c1-3-37-21-14-16-28-25(17-21)30(32(40-28)20-9-5-4-6-10-20)33(35)39-22-13-15-24-29(18-22)38-19-26(31(24)34)23-11-7-8-12-27(23)36-2/h4-19H,3H2,1-2H3
• InChIKey: XEHLPNLVJPCZMU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3-(2-methoxyphenyl)-4-oxo-4H-chromen-7-yl 5-ethoxy-2-phenyl-1-benzofuran-3-carboxylate
• IUPAC传统名: 3-(2-methoxyphenyl)-4-oxochromen-7-yl 5-ethoxy-2-phenyl-1-benzofuran-3-carboxylate

登记号

• PubChem SID: 164248442
• PubChem CID: 1776750

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 6.766819
• LogD (pH = 7.4): 6.766819
• Log P: 6.766819
• 摩尔折射率: 149.0729 cm^3
• 极化性: 59.65838 Å^3
• 极化表面积: 84.2 Å^2
• 可自由旋转的化学键: 8
• 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