8-hexyl-7-{[3-(trifluoromethyl)phenyl]methoxy}-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
8-hexyl-7-{[3-(trifluoromethyl)phenyl]methoxy}-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
8-hexyl-7-{[3-(trifluoromethyl)phenyl]methoxy}-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | Y040-7414 |
| Compound Name: | 8-hexyl-7-{[3-(trifluoromethyl)phenyl]methoxy}-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 444.49 |
| Molecular Formula: | C26 H27 F3 O3 |
| Smiles: | CCCCCCc1cc2C3CCCC=3C(=O)Oc2cc1OCc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 7.8501 |
| logD: | 7.8501 |
| logSw: | -5.7915 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.7609 |
| InChI Key: | TXVLLTWLRJAREV-UHFFFAOYSA-N |