2-[3-fluoro-4-(octyloxy)phenyl]-2-oxoethyl 4-hexylbenzoate
Chemical Structure Depiction of
2-[3-fluoro-4-(octyloxy)phenyl]-2-oxoethyl 4-hexylbenzoate
2-[3-fluoro-4-(octyloxy)phenyl]-2-oxoethyl 4-hexylbenzoate
Compound characteristics
| Compound ID: | 0052-0076 |
| Compound Name: | 2-[3-fluoro-4-(octyloxy)phenyl]-2-oxoethyl 4-hexylbenzoate |
| Molecular Weight: | 470.63 |
| Molecular Formula: | C29 H39 F O4 |
| Smiles: | CCCCCCCCOc1ccc(cc1F)C(COC(c1ccc(CCCCCC)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 10.2049 |
| logD: | 10.2049 |
| logSw: | -5.7402 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.847 |
| InChI Key: | LVWWMKOHTFWGDD-UHFFFAOYSA-N |