2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl acetate
Chemical Structure Depiction of
2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl acetate
2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl acetate
Compound characteristics
| Compound ID: | 8011-2027 |
| Compound Name: | 2-(4-bromophenyl)-3,3,5-trimethyl-6-oxo-3,6-dihydro-2H-pyran-4-yl acetate |
| Molecular Weight: | 353.21 |
| Molecular Formula: | C16 H17 Br O4 |
| Smiles: | CC1=C(C(C)(C)C(c2ccc(cc2)[Br])OC1=O)OC(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1192 |
| logD: | 4.1192 |
| logSw: | -4.2729 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.747 |
| InChI Key: | ZLKYQUAPUXDCEQ-CQSZACIVSA-N |