69H
概要
| 表記: | 4-fluoro-5-hexyl-2-(2-methylphenoxy)phenol |
| 組成式: | C19 H23 F O2 |
| 電荷: | 0 |
| 化学式量: | 302.383 Da |
| 分子種別: | NON-POLYMER |
化合物名
| プログラム | バージョン | 表記 |
| ACDLabs | 12.01 | 4-fluoro-5-hexyl-2-(2-methylphenoxy)phenol |
| OpenEye OEToolkits | 2.0.4 | 4-fluoranyl-5-hexyl-2-(2-methylphenoxy)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 | 12.01 | CCCCCCc1c(F)cc(c(c1)O)Oc2ccccc2C |
| InChI | InChI | 1.03 | InChI=1S/C19H23FO2/c1-3-4-5-6-10-15-12-17(21)19(13-16(15)20)22-18-11-8-7-9-14(18)2/h7-9,11-13,21H,3-6,10H2,1-2H3 |
| InChIKey | InChI | 1.03 | GJZJMPMJSFDTJH-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCc1cc(O)c(Oc2ccccc2C)cc1F |
| SMILES | CACTVS | 3.385 | CCCCCCc1cc(O)c(Oc2ccccc2C)cc1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CCCCCCc1cc(c(cc1F)Oc2ccccc2C)O |
| SMILES | OpenEye OEToolkits | 2.0.4 | CCCCCCc1cc(c(cc1F)Oc2ccccc2C)O |
