ethyl 3-[4-(2-methylpropoxy)phenyl]-4-oxo-2H,3H,4H-furo[3,2-c]chromene-2-carboxylate

• ChemBase编号: 226655
• 分子式: C24H24O6
• 平均质量: 408.44376
• 单一同位素质量: 408.15728849
• SMILES: c12c(OC(C2c2ccc(OCC(C)C)cc2)C(=O)OCC)c2c(oc1=O)cccc2
• Canonical SMILES: CCOC(=O)C1Oc2c(C1c1ccc(cc1)OCC(C)C)c(=O)oc1c2cccc1
• InChI: InChI=1S/C24H24O6/c1-4-27-24(26)22-19(15-9-11-16(12-10-15)28-13-14(2)3)20-21(30-22)17-7-5-6-8-18(17)29-23(20)25/h5-12,14,19,22H,4,13H2,1-3H3
• InChIKey: GQEQRBHYBSSLBN-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164282565
• PubChem CID: 71753813

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 3.842708
• LogD (pH = 7.4): 3.842708
• Log P: 3.842708
• 摩尔折射率: 110.9392 cm^3
• 极化性: 43.269527 Å^3
• 极化表面积: 71.06 Å^2
• 可自由旋转的化学键: 7
• 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