4-methyl-8-(4-methylbenzoyl)-9-phenyl-2H-furo[2,3-h]chromen-2-one

• ChemBase编号: 189380
• 分子式: C26H18O4
• 平均质量: 394.41872
• 单一同位素质量: 394.12050906
• SMILES: c1(c(c2c3c(c(cc(=O)o3)C)ccc2o1)c1ccccc1)C(=O)c1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)C(=O)c1oc2c(c1c1ccccc1)c1oc(=O)cc(c1cc2)C
• InChI: InChI=1S/C26H18O4/c1-15-8-10-18(11-9-15)24(28)26-22(17-6-4-3-5-7-17)23-20(29-26)13-12-19-16(2)14-21(27)30-25(19)23/h3-14H,1-2H3
• InChIKey: LEXZKYBZXYCNBX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-methyl-8-(4-methylbenzoyl)-9-phenyl-2H-furo[2,3-h]chromen-2-one
• IUPAC传统名: 4-methyl-8-(4-methylbenzoyl)-9-phenylfuro[2,3-h]chromen-2-one

登记号

• PubChem SID: 164245290
• PubChem CID: 1795344

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.7818785
• LogD (pH = 7.4): 5.7818785
• Log P: 5.7818785
• 摩尔折射率: 115.3021 cm^3
• 极化性: 46.373817 Å^3
• 极化表面积: 56.51 Å^2
• 可自由旋转的化学键: 3
• 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