1OH
概要
| 表記: | 4-(1-methyl-1-phenylethyl)phenol |
| 別名: | 2-(4'-Hydroxyphenyl)-2-phenylpropane 4-alpha-Cumylphenol |
| 組成式: | C15 H16 O |
| 電荷: | 0 |
| 化学式量: | 212.287 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 10.04 | 4-(1-methyl-1-phenylethyl)phenol |
| OpenEye OEToolkits | 1.5.0 | 4-(2-phenylpropan-2-yl)phenol |
化合物記述子（線形表記）
| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | Oc1ccc(cc1)C(c2ccccc2)(C)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)(c1ccccc1)c2ccc(O)cc2 |
| SMILES | CACTVS | 3.341 | CC(C)(c1ccccc1)c2ccc(O)cc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)(c1ccccc1)c2ccc(cc2)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)(c1ccccc1)c2ccc(cc2)O |
| InChI | InChI | 1.03 | InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3 |
| InChIKey | InChI | 1.03 | QBDSZLJBMIMQRS-UHFFFAOYSA-N |
