W0I
Summary
| Name: | 4-fluoro-5-hexyl-2-phenoxyphenol |
| Formula: | C18 H21 F O2 |
| Formal charge: | 0 |
| Formula weight: | 288.357 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 4-fluoro-5-hexyl-2-phenoxyphenol |
| OpenEye OEToolkits | 1.7.6 | 4-fluoranyl-5-hexyl-2-phenoxy-phenol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Fc2cc(Oc1ccccc1)c(O)cc2CCCCCC |
| InChI | InChI | 1.03 | InChI=1S/C18H21FO2/c1-2-3-4-6-9-14-12-17(20)18(13-16(14)19)21-15-10-7-5-8-11-15/h5,7-8,10-13,20H,2-4,6,9H2,1H3 |
| InChIKey | InChI | 1.03 | GYPLPHKUBOKVOJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCCCCCc1cc(O)c(Oc2ccccc2)cc1F |
| SMILES | CACTVS | 3.385 | CCCCCCc1cc(O)c(Oc2ccccc2)cc1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCCCCCc1cc(c(cc1F)Oc2ccccc2)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | CCCCCCc1cc(c(cc1F)Oc2ccccc2)O |
