2,2-二甲基-3,4-二氢-2H-1-苯并吡喃-6-醇 | 1886-42-6
2,2-二甲基-3,4-二氢-2H-1-苯并吡喃-6-醇
2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-ol
1886-42-6
C11H14O2
178.22766
名称和标识符
MDL |
MFCD24391618 |
InChIKey |
FKUWKXIPPULUCW-UHFFFAOYSA-N |
Inchi |
InChI=1S/C11H14O2/c1-11(2)6-5-8-7-9(12)3-4-10(8)13-11/h3-4,7,12H,5-6H2,1-2H3 |
SMILES |
OC1C=CC2OC(CCC=2C=1)(C)C |
别名信息
- 英文别名 -
- 2H-1-Benzopyran-6-ol,3,4-dihydro-2,2-dimethyl-
- 2,2-dimethyl-3,4-dihydrochromen-6-ol
- 6-hydroxy-2,2-dimethylchroman
- 2,2-dimethyl-3,4-dihydro-2H-chromen-6-ol
- 2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-ol
- 6-Hydroxy-2,2-dimethylchroman
- FKUWKXIPPULUCW-UHFFFAOYSA-N
- 1886-42-6
- DTXSID60172232
- 2,2-dimethylchroman-6-ol
- CHEMBL2048513
- SCHEMBL3184205
- NCGC00186599-01
- CCG-357936
- 2,2-dimethyl-6-hydroxychroman
- F8888-2308
- F91619
- Z1513804591
- 6-hydroxy-2,2-dimethyl-3,4-dihydro-2H-benzo(b)pyran
- CS-0238542
- AKOS022639986
- 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,2-dimethyl-
- 2,2-Dimethyl-3,4-dihydro-6-hydroxy-(2H)-benzo-(1,2-b)-pyran
- InChI=1/C11H14O2/c1-11(2)6-5-8-7-9(12)3-4-10(8)13-11/h3-4,7,12H,5-6H2,1-2H
- EN300-197124
物化性质
实验特性
计算特性
精确分子量 |
178.09942 |
氢键供体数量 |
1 |
氢键受体数量 |
2 |
可旋转化学键数量 |
0 |
同位素质量 |
178.099379685g/mol |
重原子数量 |
13 |
复杂度 |
189 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
0 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
2.5 |
拓扑分子极性表面积 |
29.5Ų |
相关文献
-
1.
Substituent effect on the radical scavenging activity of 6-chromanol derivatives
Keiko Inami,Mariko Suzuki,Azusa Shimizu,Miyuki Furukawa,Mine Morita,Masataka Mochizuki RSC Adv. 2014 4 43882
-
2.
Selective synthesis of monomethyltocols viaη-allylnickel complexes
Seiichi Inoue,Kenji Saito,Kazumasa Kato,Sadao Nozaki,Kikumasa Sato J. Chem. Soc. Perkin Trans. 1 1974 2097
-
3.
The high stability of intermediate radicals enhances the radical-scavenging activity of aminochromanols
Keiko Inami,Ikuo Nakanishi,Mine Morita,Miyuki Furukawa,Kei Ohkubo,Shunichi Fukuzumi,Masataka Mochizuki RSC Adv. 2012 2 12714
-
4.
Highly selective metal mediated ortho-alkylation of phenol. First platinum containing organometallic chromane analogues
Vita M. Vecchio,Michele Benedetti,Danilo Migoni,Sandra A. De Pascali,Antonella Ciccarese,Santo Marsigliante,Francesco Capitelli,Francesco P. Fanizzi Dalton Trans. 2007 5720