7-[(4-tert-butylphenyl)methoxy]-8-chloro-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
7-[(4-tert-butylphenyl)methoxy]-8-chloro-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
7-[(4-tert-butylphenyl)methoxy]-8-chloro-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | Y040-7353 |
| Compound Name: | 7-[(4-tert-butylphenyl)methoxy]-8-chloro-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 382.89 |
| Molecular Formula: | C23 H23 Cl O3 |
| Smiles: | CC(C)(C)c1ccc(COc2cc3c(cc2[Cl])C2CCCC=2C(=O)O3)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.6739 |
| logD: | 6.6739 |
| logSw: | -6.2674 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.7609 |
| InChI Key: | RTIXFHOYUWISMX-UHFFFAOYSA-N |