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

• ChemBase编号: 198520
• 分子式: C24H18Cl2O5
• 平均质量: 457.30272
• 单一同位素质量: 456.05312904
• SMILES: C\1(=C\c2cc(c(cc2)OC)OC)/C(=O)c2c(O1)cc(OCc1c(cc(cc1)Cl)Cl)cc2
• Canonical SMILES: COc1cc(ccc1OC)/C=C/1\Oc2c(C1=O)ccc(c2)OCc1ccc(cc1Cl)Cl
• InChI: InChI=1S/C24H18Cl2O5/c1-28-20-8-3-14(9-22(20)29-2)10-23-24(27)18-7-6-17(12-21(18)31-23)30-13-15-4-5-16(25)11-19(15)26/h3-12H,13H2,1-2H3/b23-10-
• InChIKey: MKBOTSGAGRPYOB-RMORIDSASA-N

名称和登记号

名称

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

登记号

• PubChem SID: 164254430
• PubChem CID: 1802614

理论计算性质

• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 5.661823
• LogD (pH = 7.4): 5.661823
• Log P: 5.661823
• 摩尔折射率: 120.6581 cm^3
• 极化性: 46.18001 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: false

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds