8-ethoxy-6-(4-hydroxy-3-iodo-5-methoxyphenyl)-1,3-dimethyl-4H-cyclohepta[c]furan-4-one
Chemical Structure Depiction of
8-ethoxy-6-(4-hydroxy-3-iodo-5-methoxyphenyl)-1,3-dimethyl-4H-cyclohepta[c]furan-4-one
8-ethoxy-6-(4-hydroxy-3-iodo-5-methoxyphenyl)-1,3-dimethyl-4H-cyclohepta[c]furan-4-one
Compound characteristics
Compound ID: | 6557-0118 |
Compound Name: | 8-ethoxy-6-(4-hydroxy-3-iodo-5-methoxyphenyl)-1,3-dimethyl-4H-cyclohepta[c]furan-4-one |
Molecular Weight: | 466.27 |
Molecular Formula: | C20 H19 I O5 |
Smiles: | CCOC1=CC(=CC(c2c1c(C)oc2C)=O)c1cc(c(c(c1)I)O)OC |
Stereo: | ACHIRAL |
logP: | 4.605 |
logD: | 4.4799 |
logSw: | -4.3175 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 51.37 |
InChI Key: | ZAPOQLOXMCWMPI-UHFFFAOYSA-N |