4-(8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl)phenyl benzoate
Chemical Structure Depiction of
4-(8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl)phenyl benzoate
4-(8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl)phenyl benzoate
Compound characteristics
| Compound ID: | D313-0104 |
| Compound Name: | 4-(8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl)phenyl benzoate |
| Molecular Weight: | 414.46 |
| Molecular Formula: | C26 H22 O5 |
| Smiles: | CCOC1=CC(=CC(c2c1c(C)oc2C)=O)c1ccc(cc1)OC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1996 |
| logD: | 5.1996 |
| logSw: | -5.289 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.638 |
| InChI Key: | PLKHQSZVOZJICM-UHFFFAOYSA-N |