A1H3P
Summary
| Name: | (2~{S})-3-[(4-ethyl-1-benzofuran-7-yl)oxy]-2-fluoranyl-propan-1-ol |
| Formula: | C13 H15 F O3 |
| Formal charge: | 0 |
| Formula weight: | 238.255 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{S})-3-[(4-ethyl-1-benzofuran-7-yl)oxy]-2-fluoranyl-propan-1-ol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H15FO3/c1-2-9-3-4-12(17-8-10(14)7-15)13-11(9)5-6-16-13/h3-6,10,15H,2,7-8H2,1H3/t10-/m0/s1 |
| InChIKey | InChI | 1.06 | JHNOWMZIFWNJQX-JTQLQIEISA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCc1ccc(OC[C@@H](F)CO)c2occc12 |
| SMILES | CACTVS | 3.385 | CCc1ccc(OC[CH](F)CO)c2occc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCc1ccc(c2c1cco2)OC[C@H](CO)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCc1ccc(c2c1cco2)OCC(CO)F |
