4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl (2-bromo-4-methylphenoxy)acetate
Chemical Structure Depiction of
4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl (2-bromo-4-methylphenoxy)acetate
4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl (2-bromo-4-methylphenoxy)acetate
Compound characteristics
| Compound ID: | 5694-0054 |
| Compound Name: | 4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl (2-bromo-4-methylphenoxy)acetate |
| Molecular Weight: | 429.27 |
| Molecular Formula: | C21 H17 Br O5 |
| Smiles: | Cc1ccc(c(c1)[Br])OCC(=O)Oc1ccc2C3CCCC=3C(=O)Oc2c1 |
| Stereo: | ACHIRAL |
| logP: | 4.1798 |
| logD: | 4.1798 |
| logSw: | -4.3935 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.815 |
| InChI Key: | MEXJRIAZLMITHO-UHFFFAOYSA-N |