6'-phenyl-4',8'-dihydro-3'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromene]-8'-one

• ChemBase编号: 209755
• 分子式: C23H22O3
• 平均质量: 346.41898
• 单一同位素质量: 346.15689456
• SMILES: c1(c2c(oc(=O)c1)cc1OC3(CCc1c2)CCCCC3)c1ccccc1
• Canonical SMILES: O=c1oc2cc3OC4(CCCCC4)CCc3cc2c(c1)c1ccccc1
• InChI: InChI=1S/C23H22O3/c24-22-14-18(16-7-3-1-4-8-16)19-13-17-9-12-23(10-5-2-6-11-23)26-20(17)15-21(19)25-22/h1,3-4,7-8,13-15H,2,5-6,9-12H2
• InChIKey: IHOKQPFZZUFGFY-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 6'-phenyl-4',8'-dihydro-3'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromene]-8'-one
• IUPAC传统名: 6'-phenyl-3',4'-dihydrospiro[cyclohexane-1,2'-pyrano[3,2-g]chromene]-8'-one

登记号

• PubChem SID: 164265665
• PubChem CID: 1787550

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.266383
• LogD (pH = 7.4): 5.266383
• Log P: 5.266383
• 摩尔折射率: 110.3789 cm^3
• 极化性: 39.161728 Å^3
• 极化表面积: 35.53 Å^2
• 可自由旋转的化学键: 1
• 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