(2Z)-6-[(3-methoxyphenyl)methoxy]-2-[(2-methyl-2H-chromen-3-yl)methylidene]-2,3-dihydro-1-benzofuran-3-one

• ChemBase编号: 209344
• 分子式: C27H22O5
• 平均质量: 426.46058
• 单一同位素质量: 426.1467238
• SMILES: C\1(=C\C2=Cc3c(OC2C)cccc3)/C(=O)c2c(O1)cc(OCc1cc(OC)ccc1)cc2
• Canonical SMILES: COc1cccc(c1)COc1ccc2c(c1)O/C(=C\C1=Cc3ccccc3OC1C)/C2=O
• InChI: InChI=1S/C27H22O5/c1-17-20(13-19-7-3-4-9-24(19)31-17)14-26-27(28)23-11-10-22(15-25(23)32-26)30-16-18-6-5-8-21(12-18)29-2/h3-15,17H,16H2,1-2H3/b26-14-
• InChIKey: KLOVVVTVQKMDMX-WGARJPEWSA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164265254
• PubChem CID: 16402728

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 4.8786917
• LogD (pH = 7.4): 4.8786917
• Log P: 4.8786917
• 摩尔折射率: 123.5813 cm^3
• 极化性: 46.971245 Å^3
• 极化表面积: 53.99 Å^2
• 可自由旋转的化学键: 5
• 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