3-[2-(4-fluorophenyl)-2-oxoethoxy]-4-methyl-8,9,10,11-tetrahydrobenzo[b]cyclohepta[d]pyran-6(7H)-one
Chemical Structure Depiction of
3-[2-(4-fluorophenyl)-2-oxoethoxy]-4-methyl-8,9,10,11-tetrahydrobenzo[b]cyclohepta[d]pyran-6(7H)-one
3-[2-(4-fluorophenyl)-2-oxoethoxy]-4-methyl-8,9,10,11-tetrahydrobenzo[b]cyclohepta[d]pyran-6(7H)-one
Compound characteristics
| Compound ID: | Y040-0866 |
| Compound Name: | 3-[2-(4-fluorophenyl)-2-oxoethoxy]-4-methyl-8,9,10,11-tetrahydrobenzo[b]cyclohepta[d]pyran-6(7H)-one |
| Molecular Weight: | 380.41 |
| Molecular Formula: | C23 H21 F O4 |
| Smiles: | Cc1c(ccc2C3CCCCCC=3C(=O)Oc12)OCC(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1242 |
| logD: | 5.1242 |
| logSw: | -4.9399 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.657 |
| InChI Key: | YIYFVUHUYAUZNA-UHFFFAOYSA-N |