(2Z)-6-[(3-methoxyphenyl)methoxy]-2-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-3-one

• ChemBase编号: 207896
• 分子式: C26H24O7
• 平均质量: 448.46456
• 单一同位素质量: 448.15220311
• SMILES: C\1(=C\c2cc(c(c(c2)OC)OC)OC)/C(=O)c2c(O1)cc(OCc1cc(OC)ccc1)cc2
• Canonical SMILES: COc1cccc(c1)COc1ccc2c(c1)O/C(=C\c1cc(OC)c(c(c1)OC)OC)/C2=O
• InChI: InChI=1S/C26H24O7/c1-28-18-7-5-6-16(10-18)15-32-19-8-9-20-21(14-19)33-22(25(20)27)11-17-12-23(29-2)26(31-4)24(13-17)30-3/h5-14H,15H2,1-4H3/b22-11-
• InChIKey: ACHQERLWBZBUHE-JJFYIABZSA-N

名称和登记号

名称

• IUPAC标准名: (2Z)-6-[(3-methoxyphenyl)methoxy]-2-[(3,4,5-trimethoxyphenyl)methylidene]-2,3-dihydro-1-benzofuran-3-one
• IUPAC传统名: (2Z)-6-[(3-methoxyphenyl)methoxy]-2-[(3,4,5-trimethoxyphenyl)methylidene]-1-benzofuran-3-one

登记号

• PubChem SID: 164263806
• PubChem CID: 1781741

理论计算性质

• 极化性: 47.4573 Å^3
• 极化表面积: 72.45 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true
• 质子受体: 7
• 质子供体: 0
• LogD (pH = 5.5): 4.138391
• LogD (pH = 7.4): 4.138391
• Log P: 4.138391
• 摩尔折射率: 123.9749 cm^3

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds