methyl 5-[2-methoxy-4-(prop-2-en-1-yl)phenoxymethyl]furan-2-carboxylate

• ChemBase编号: 185739
• 分子式: C17H18O5
• 平均质量: 302.32182
• 单一同位素质量: 302.11542368
• SMILES: c1(oc(cc1)COc1c(cc(cc1)CC=C)OC)C(=O)OC
• Canonical SMILES: C=CCc1ccc(c(c1)OC)OCc1ccc(o1)C(=O)OC
• InChI: InChI=1S/C17H18O5/c1-4-5-12-6-8-14(16(10-12)19-2)21-11-13-7-9-15(22-13)17(18)20-3/h4,6-10H,1,5,11H2,2-3H3
• InChIKey: GGYXHRCVINNPKC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: methyl 5-[2-methoxy-4-(prop-2-en-1-yl)phenoxymethyl]furan-2-carboxylate
• IUPAC传统名: methyl 5-[2-methoxy-4-(prop-2-en-1-yl)phenoxymethyl]furan-2-carboxylate

登记号

• PubChem SID: 164241649
• PubChem CID: 738498

理论计算性质

• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.4646719
• LogD (pH = 7.4): 3.4646719
• Log P: 3.4646719
• 摩尔折射率: 82.178 cm^3
• 极化性: 31.54387 Å^3
• 极化表面积: 57.9 Å^2
• 可自由旋转的化学键: 8
• 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