(2,4-dimethylphenyl)(phenyl)methanone

• ChemBase编号: 86991
• 分子式: C15H14O
• 平均质量: 210.27106
• 单一同位素质量: 210.10446507
• SMILES: O=C(c1c(cc(cc1)C)C)c1ccccc1
• Canonical SMILES: Cc1ccc(c(c1)C)C(=O)c1ccccc1
• InChI: InChI=1S/C15H14O/c1-11-8-9-14(12(2)10-11)15(16)13-6-4-3-5-7-13/h3-10H,1-2H3
• InChIKey: UYSQHMXRROFKRN-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (2,4-dimethylphenyl)(phenyl)methanone
• IUPAC传统名: (2,4-dimethylphenyl)(phenyl)methanone
• 别名: (2,4-dimethylphenyl)(phenyl)methanone; 2,4-DIMETHYLBENZOPHENONE

登记号

• CAS号: 1140-14-3
• MDL号: MFCD00008537
• PubChem SID: 162074107
• PubChem CID: 70831

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 4.4594417
• LogD (pH = 7.4): 4.4594417
• Log P: 4.4594417
• 摩尔折射率: 66.7159 cm^3
• 极化性: 25.56308 Å^3
• 极化表面积: 17.07 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

详细说明

MP Biomedicals - 05220865

MP Biomedicals Rare Chemical collection