2,2'-methylenebis(6-methylphenol)结构式
|
常用名 | 2,2'-methylenebis(6-methylphenol) | 英文名 | 2,2'-methylenebis(6-methylphenol) |
|---|---|---|---|---|
| CAS号 | 13747-35-8 | 分子量 | 228.28600 | |
| 密度 | 1.151g/cm3 | 沸点 | 377.4ºC at 760 mmHg | |
| 分子式 | C15H16O2 | 熔点 | 129 - 130 °C | |
| MSDS | N/A | 闪点 | 179ºC |
本表展示该化学物质的中文名称、英文系统名、各类中文与英文别名信息。
| 英文名 | 2-[(2-hydroxy-3-methylphenyl)methyl]-6-methylphenol |
|---|---|
| 英文别名 | 更多 |
本表包含该物质理化参数,如熔点、沸点、密度、溶解度、旋光性等理化指标,无数据项标记为N/A。
| 密度 | 1.151g/cm3 |
|---|---|
| 沸点 | 377.4ºC at 760 mmHg |
| 熔点 | 129 - 130 °C |
| 分子式 | C15H16O2 |
| 分子量 | 228.28600 |
| 闪点 | 179ºC |
| 精确质量 | 228.11500 |
| PSA | 40.46000 |
| LogP | 3.30540 |
| InChIKey | XACVRCGRFRDJTE-UHFFFAOYSA-N |
| SMILES | Cc1cccc(Cc2cccc(C)c2O)c1O |
| 蒸汽压 | 3.13E-06mmHg at 25°C |
| 折射率 | 1.612 |
本表提供该化合物公开报道的合成路线、反应条件、反应物与产物参考信息。
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~79%
2,2'-methyleneb... 13747-35-8 |
| 文献:Casiraghi, Giovanni; Casnati, Giuseppe; Pochini, Andrea; Puglia, Giuseppe; Ungaro, Rocco; Sartori, Giovanni Synthesis, 1981 , # 2 p. 143 - 146 |
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~%
2,2'-methyleneb... 13747-35-8 |
| 文献:Bagnacani, Valentine; Sansone, Francesco; Donofrio, Gaetano; Baldini, Laura; Casnati, Alessandro; Ungaro, Rocco Organic Letters, 2008 , vol. 10, # 18 p. 3953 - 3956 |
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~%
2,2'-methyleneb... 13747-35-8 |
| 文献:Pala,G. et al. Farmaco, Edizione Scientifica, 1963 , vol. 18, p. 619 - 642 |
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~%
2,2'-methyleneb... 13747-35-8 |
| 文献:Strating; Backer Recueil des Travaux Chimiques des Pays-Bas, 1943 , vol. 62, p. 57,60 |
|
~%
2,2'-methyleneb... 13747-35-8 |
| 文献:Aldred, Robert; Johnston, Robert; Levin, Daniel; Neilan, James Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1994 , # 13 p. 1823 - 1832 |
|
~%
2,2'-methyleneb... 13747-35-8 |
| 文献:Casiraghi,G. et al. Gazzetta Chimica Italiana, 1978 , vol. 108, p. 79 - 84 |
本表列出该化学品对应的上游起始原料以及下游衍生产物清单。
| 2,2'-methylenebis(6-methylphenol)上游产品 5 | |
|---|---|
| 2,2'-methylenebis(6-methylphenol)下游产品 0 | |
本表记录该化合物靶点、体外体内实验、生物测定实验相关实验数据。
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实验名称:QFRET-based biochemical primary high throughput screening assay to identify exosite i...
来源:The Scripps Research Institute Molecular Screening Center
靶标:disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id:ADAM17_INH_QFRET_1536_1X%INH PRUN
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实验名称:Fluorescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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实验名称:qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
来源:NCGC
靶标:TDP1 protein [Homo sapiens]
External Id:TDP1100
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实验名称:qHTS for Inhibitors of human tyrosyl-DNA phosphodiesterase 1 (TDP1): qHTS in cells in...
来源:NCGC
靶标:TDP1 protein [Homo sapiens]
External Id:TDP1101
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实验名称:Schnurri-3 Inhibitors: specific inducers of adult bone formation Measured in Cell-Bas...
来源:Broad Institute
靶标:N/A
External Id:2134-01_Inhibitor_SinglePoint_HTS_Activity_Set2
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实验名称:Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
来源:Broad Institute
靶标:FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id:2147-01_Inhibitor_SinglePoint_HTS_Activity
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实验名称:Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
来源:Broad Institute
靶标:N/A
External Id:Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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实验名称:High throughput screen for small molecule inhibitors of a hypoxia-regulated fluoresce...
来源:ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
靶标:N/A
External Id:HMS1149-MLP
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实验名称:Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
来源:Broad Institute
靶标:N/A
External Id:7124-01_Inhibitor_SinglePoint_HTS_Activity
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实验名称:qHTS for Inhibitors of AMA1-RON; Towards Development of Antimalarial Drug Lead: Prima...
来源:NCGC
靶标:apical membrane antigen 1, AMA1 [Plasmodium falciparum 3D7]
External Id:AMA1100
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本表罗列该化合物全部英文别名、系统命名、CAS别名等英文名称集合。
| 6,6'-dimethyl-2,2'-methanediyl-di-phenol |
| 6,6'-Dimethyl-2,2'-methandiyl-di-phenol |
| 2,2'-methylene bis-6-methyl phenol |
| bis[2-hydroxy-3-methylphenyl]methane |
| 2,2'-methylenebis(6-methylphenol) |
本部分为该化合物相关常见问答,包含基础参数、性状、储存条件等高频咨询问题与对应答案。
| Q: 13747-35-8的SMILES表达式是什么? |
| A: 13747-35-8SMILES表达式为Cc1cccc(Cc2cccc(C)c2O)c1O。 |
| Q: 13747-35-8的InChIKey是什么? |
| A: 13747-35-8InChIKey为XACVRCGRFRDJTE-UHFFFAOYSA-N。 |
| Q: 13747-35-8有哪些英文别名? |
| A: 13747-35-8英文别名有:6,6'-dimethyl-2,2'-methanediyl-di-phenol、 6,6'-Dimethyl-2,2'-methandiyl-di-phenol、 2,2'-methylene bis-6-methyl phenol、bis[2-hydroxy-3-methylphenyl]methane、2,2'-methylenebis(6-methylphenol)。 |
| Q: 13747-35-8的分子量是多少? |
| A: 13747-35-8分子量为228.28600。 |
| Q: 13747-35-8的极性表面积PSA是多少? |
| A: 13747-35-8极性表面积PSA为40.46000。 |
| Q: 13747-35-8的熔点是多少? |
| A: 13747-35-8熔点为129 - 130 °C。 |
| Q: 13747-35-8的CAS号是多少? |
| A: 13747-35-8CAS号为13747-35-8。 |
| Q: 13747-35-8的分子式是什么? |
| A: 13747-35-8分子式为C15H16O2。 |
| Q: 13747-35-8的沸点是多少? |
| A: 13747-35-8沸点为377.4ºC at 760 mmHg。 |
| Q: 13747-35-8的LogP(油水分配系数)是多少? |
| A: 13747-35-8LogP(油水分配系数)为3.30540。 |