2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl benzoate
Chemical Structure Depiction of
2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl benzoate
2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl benzoate
Compound characteristics
| Compound ID: | 3568-0139 |
| Compound Name: | 2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl benzoate |
| Molecular Weight: | 415.28 |
| Molecular Formula: | C21 H19 Br O4 |
| Smiles: | CC1=C(C(C)(C)C(c2ccc(cc2)[Br])OC1=O)OC(c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5317 |
| logD: | 5.5317 |
| logSw: | -5.7866 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.374 |
| InChI Key: | CTGVFOIXEATLQC-GOSISDBHSA-N |