6-(4-hydroxy-3-iodo-5-methoxyphenyl)-8-methoxy-1,3-dimethyl-4H-cyclohepta[c]furan-4-one
Chemical Structure Depiction of
6-(4-hydroxy-3-iodo-5-methoxyphenyl)-8-methoxy-1,3-dimethyl-4H-cyclohepta[c]furan-4-one
6-(4-hydroxy-3-iodo-5-methoxyphenyl)-8-methoxy-1,3-dimethyl-4H-cyclohepta[c]furan-4-one
Compound characteristics
| Compound ID: | 6557-0119 |
| Compound Name: | 6-(4-hydroxy-3-iodo-5-methoxyphenyl)-8-methoxy-1,3-dimethyl-4H-cyclohepta[c]furan-4-one |
| Molecular Weight: | 452.24 |
| Molecular Formula: | C19 H17 I O5 |
| Smiles: | Cc1c2C(=CC(=CC(c2c(C)o1)=O)c1cc(c(c(c1)I)O)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.8462 |
| logD: | 3.7212 |
| logSw: | -3.985 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.79 |
| InChI Key: | NXAGFAKZJJQHKP-UHFFFAOYSA-N |