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

• ChemBase编号: 201284
• 分子式: C24H20O5
• 平均质量: 388.4126
• 单一同位素质量: 388.13107374
• SMILES: C\1(=C\c2ccc(cc2)OC)/C(=O)c2c(O1)cc(OCc1cc(OC)ccc1)cc2
• Canonical SMILES: COc1ccc(cc1)/C=C/1\Oc2c(C1=O)ccc(c2)OCc1cccc(c1)OC
• InChI: InChI=1S/C24H20O5/c1-26-18-8-6-16(7-9-18)13-23-24(25)21-11-10-20(14-22(21)29-23)28-15-17-4-3-5-19(12-17)27-2/h3-14H,15H2,1-2H3/b23-13-
• InChIKey: SAEPMONPKMUKKF-QRVIBDJDSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164257194
• PubChem CID: 1759514

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 4.4537334
• LogD (pH = 7.4): 4.4537334
• Log P: 4.4537334
• 摩尔折射率: 111.0485 cm^3
• 极化性: 42.409485 Å^3
• 极化表面积: 53.99 Å^2
• 可自由旋转的化学键: 6
• 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