ethyl 3-(4-methoxynaphthalen-1-yl)-4-oxo-2H,3H,4H-furo[3,2-c]chromene-2-carboxylate

• ChemBase编号: 226604
• 分子式: C25H20O6
• 平均质量: 416.4227
• 单一同位素质量: 416.12598836
• SMILES: c12c(OC(C2c2c3c(c(cc2)OC)cccc3)C(=O)OCC)c2c(oc1=O)cccc2
• Canonical SMILES: CCOC(=O)C1Oc2c(C1c1ccc(c3c1cccc3)OC)c(=O)oc1c2cccc1
• InChI: InChI=1S/C25H20O6/c1-3-29-25(27)23-20(16-12-13-18(28-2)15-9-5-4-8-14(15)16)21-22(31-23)17-10-6-7-11-19(17)30-24(21)26/h4-13,20,23H,3H2,1-2H3
• InChIKey: BJQXOEAAHWTMDU-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: ethyl 3-(4-methoxynaphthalen-1-yl)-4-oxo-2H,3H,4H-furo[3,2-c]chromene-2-carboxylate
• IUPAC传统名: ethyl 3-(4-methoxynaphthalen-1-yl)-4-oxo-2H,3H-furo[3,2-c]chromene-2-carboxylate

登记号

• PubChem SID: 164282514
• PubChem CID: 71753764

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 3.5878816
• LogD (pH = 7.4): 3.5878816
• Log P: 3.5878816
• 摩尔折射率: 113.6452 cm^3
• 极化性: 45.236942 Å^3
• 极化表面积: 71.06 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds