pentyl {[3-(4-tert-butylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate
Chemical Structure Depiction of
pentyl {[3-(4-tert-butylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate
pentyl {[3-(4-tert-butylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate
Compound characteristics
| Compound ID: | 3793-3264 |
| Compound Name: | pentyl {[3-(4-tert-butylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate |
| Molecular Weight: | 438.52 |
| Molecular Formula: | C26 H30 O6 |
| Smiles: | CCCCCOC(COc1ccc2C(C(=COc2c1)Oc1ccc(cc1)C(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1369 |
| logD: | 6.1369 |
| logSw: | -5.335 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.522 |
| InChI Key: | NSHCJWCEYHOJQL-UHFFFAOYSA-N |