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

• ChemBase编号: 201635
• 分子式: C25H20O4
• 平均质量: 384.4239
• 单一同位素质量: 384.13615912
• SMILES: C\1(=C\c2cc(OC)ccc2)/C(=O)c2c(O1)cc(OCc1ccc(C=C)cc1)cc2
• Canonical SMILES: COc1cccc(c1)/C=C/1\Oc2c(C1=O)ccc(c2)OCc1ccc(cc1)C=C
• InChI: InChI=1S/C25H20O4/c1-3-17-7-9-18(10-8-17)16-28-21-11-12-22-23(15-21)29-24(25(22)26)14-19-5-4-6-20(13-19)27-2/h3-15H,1,16H2,2H3/b24-14-
• InChIKey: SXQYXXLEGJCHJK-OYKKKHCWSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164257545
• PubChem CID: 1761232

理论计算性质

• 质子受体: 4
• 质子供体: 0
• LogD (pH = 5.5): 5.348107
• LogD (pH = 7.4): 5.348107
• Log P: 5.348107
• 摩尔折射率: 114.2716 cm^3
• 极化性: 43.422756 Å^3
• 极化表面积: 44.76 Å^2
• 可自由旋转的化学键: 6
• 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