4-(8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl)phenyl 2-methylbenzoate
Chemical Structure Depiction of
4-(8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl)phenyl 2-methylbenzoate
4-(8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl)phenyl 2-methylbenzoate
Compound characteristics
| Compound ID: | D313-0106 |
| Compound Name: | 4-(8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl)phenyl 2-methylbenzoate |
| Molecular Weight: | 428.48 |
| Molecular Formula: | C27 H24 O5 |
| Smiles: | CCOC1=CC(=CC(c2c1c(C)oc2C)=O)c1ccc(cc1)OC(c1ccccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8158 |
| logD: | 5.8158 |
| logSw: | -5.6262 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.638 |
| InChI Key: | JROURHKYVMZFAB-UHFFFAOYSA-N |