2-(4-bromophenyl)-2-oxoethyl 4-[(1-hydroxycyclohexyl)ethynyl]benzoate
Chemical Structure Depiction of
2-(4-bromophenyl)-2-oxoethyl 4-[(1-hydroxycyclohexyl)ethynyl]benzoate
2-(4-bromophenyl)-2-oxoethyl 4-[(1-hydroxycyclohexyl)ethynyl]benzoate
Compound characteristics
| Compound ID: | 8011-1470 |
| Compound Name: | 2-(4-bromophenyl)-2-oxoethyl 4-[(1-hydroxycyclohexyl)ethynyl]benzoate |
| Molecular Weight: | 441.32 |
| Molecular Formula: | C23 H21 Br O4 |
| Smiles: | C1CCC(CC1)(C#Cc1ccc(cc1)C(=O)OCC(c1ccc(cc1)[Br])=O)O |
| Stereo: | ACHIRAL |
| logP: | 5.9357 |
| logD: | 5.9357 |
| logSw: | -5.7979 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.837 |
| InChI Key: | MSTIFNHXQYWWQQ-UHFFFAOYSA-N |