methyl [4-(8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl)phenoxy]acetate
Chemical Structure Depiction of
methyl [4-(8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl)phenoxy]acetate
methyl [4-(8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl)phenoxy]acetate
Compound characteristics
| Compound ID: | D313-0124 |
| Compound Name: | methyl [4-(8-ethoxy-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-6-yl)phenoxy]acetate |
| Molecular Weight: | 382.41 |
| Molecular Formula: | C22 H22 O6 |
| Smiles: | CCOC1=CC(=CC(c2c1c(C)oc2C)=O)c1ccc(cc1)OCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.4545 |
| logD: | 3.4545 |
| logSw: | -3.6071 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.339 |
| InChI Key: | LTDKVNOOAYAADF-UHFFFAOYSA-N |