8-methoxy-4-methyl-3-[(2-methylprop-2-en-1-yl)oxy]-6H-benzo[c]chromen-6-one

• ChemBase编号: 190447
• 分子式: C19H18O4
• 平均质量: 310.34382
• 单一同位素质量: 310.12050906
• SMILES: c12oc(=O)c3c(c1ccc(c2C)OCC(=C)C)ccc(c3)OC
• Canonical SMILES: COc1ccc2c(c1)c(=O)oc1c2ccc(c1C)OCC(=C)C
• InChI: InChI=1S/C19H18O4/c1-11(2)10-22-17-8-7-15-14-6-5-13(21-4)9-16(14)19(20)23-18(15)12(17)3/h5-9H,1,10H2,2-4H3
• InChIKey: SCWBNWIYTVROLD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 8-methoxy-4-methyl-3-[(2-methylprop-2-en-1-yl)oxy]-6H-benzo[c]chromen-6-one
• IUPAC传统名: 8-methoxy-4-methyl-3-[(2-methylprop-2-en-1-yl)oxy]benzo[c]chromen-6-one

登记号

• PubChem SID: 164246357
• PubChem CID: 800933

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 4.098017
• LogD (pH = 7.4): 4.098017
• Log P: 4.098017
• 摩尔折射率: 88.3514 cm^3
• 极化性: 35.197365 Å^3
• 极化表面积: 44.76 Å^2
• 可自由旋转的化学键: 4
• 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