2-iodo-6-methoxy-4-[rel-(4aR,10bR)-9-methyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol
Chemical Structure Depiction of
2-iodo-6-methoxy-4-[rel-(4aR,10bR)-9-methyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol
2-iodo-6-methoxy-4-[rel-(4aR,10bR)-9-methyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol
Compound characteristics
| Compound ID: | J038-0588 |
| Compound Name: | 2-iodo-6-methoxy-4-[rel-(4aR,10bR)-9-methyl-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-5-yl]phenol |
| Molecular Weight: | 451.3 |
| Molecular Formula: | C20 H22 I N O3 |
| Smiles: | Cc1ccc2c(c1)[C@@H]1[C@@H](CCCO1)C(c1cc(c(c(c1)I)O)OC)N2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5227 |
| logD: | 4.4429 |
| logSw: | -4.1962 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 43.94 |
| InChI Key: | MDDCRLBODXIXFZ-BTQZEYGESA-N |