methyl {[3-(4-tert-butylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate
Chemical Structure Depiction of
methyl {[3-(4-tert-butylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate
methyl {[3-(4-tert-butylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate
Compound characteristics
| Compound ID: | 4491-1039 |
| Compound Name: | methyl {[3-(4-tert-butylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate |
| Molecular Weight: | 382.41 |
| Molecular Formula: | C22 H22 O6 |
| Smiles: | CC(C)(C)c1ccc(cc1)OC1=COc2cc(ccc2C1=O)OCC(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.2489 |
| logD: | 4.2489 |
| logSw: | -4.4842 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.648 |
| InChI Key: | HEAHJYQZVGRKNA-UHFFFAOYSA-N |