methyl {[4-oxo-3-(2,3,5-trimethylphenoxy)-4H-1-benzopyran-7-yl]oxy}acetate
Chemical Structure Depiction of
methyl {[4-oxo-3-(2,3,5-trimethylphenoxy)-4H-1-benzopyran-7-yl]oxy}acetate
methyl {[4-oxo-3-(2,3,5-trimethylphenoxy)-4H-1-benzopyran-7-yl]oxy}acetate
Compound characteristics
| Compound ID: | 5976-2368 |
| Compound Name: | methyl {[4-oxo-3-(2,3,5-trimethylphenoxy)-4H-1-benzopyran-7-yl]oxy}acetate |
| Molecular Weight: | 368.38 |
| Molecular Formula: | C21 H20 O6 |
| Smiles: | Cc1cc(C)c(C)c(c1)OC1=COc2cc(ccc2C1=O)OCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.9644 |
| logD: | 3.9644 |
| logSw: | -4.1267 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.735 |
| InChI Key: | PNDWHYKAGLRNTB-UHFFFAOYSA-N |