3-[2-(4-bromophenyl)-2-oxoethoxy]-4-methyl-8,9,10,11-tetrahydrobenzo[b]cyclohepta[d]pyran-6(7H)-one
Chemical Structure Depiction of
3-[2-(4-bromophenyl)-2-oxoethoxy]-4-methyl-8,9,10,11-tetrahydrobenzo[b]cyclohepta[d]pyran-6(7H)-one
3-[2-(4-bromophenyl)-2-oxoethoxy]-4-methyl-8,9,10,11-tetrahydrobenzo[b]cyclohepta[d]pyran-6(7H)-one
Compound characteristics
| Compound ID: | Y040-7119 |
| Compound Name: | 3-[2-(4-bromophenyl)-2-oxoethoxy]-4-methyl-8,9,10,11-tetrahydrobenzo[b]cyclohepta[d]pyran-6(7H)-one |
| Molecular Weight: | 441.32 |
| Molecular Formula: | C23 H21 Br O4 |
| Smiles: | Cc1c(ccc2C3CCCCCC=3C(=O)Oc12)OCC(c1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 5.929 |
| logD: | 5.929 |
| logSw: | -5.4427 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.657 |
| InChI Key: | FILIMECGJHPVLH-UHFFFAOYSA-N |