pentyl {[3-(2,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate
Chemical Structure Depiction of
pentyl {[3-(2,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate
pentyl {[3-(2,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate
Compound characteristics
| Compound ID: | 4358-3658 |
| Compound Name: | pentyl {[3-(2,5-dimethylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}acetate |
| Molecular Weight: | 410.47 |
| Molecular Formula: | C24 H26 O6 |
| Smiles: | CCCCCOC(COc1ccc2C(C(=COc2c1)Oc1cc(C)ccc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3372 |
| logD: | 5.3372 |
| logSw: | -5.1933 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.609 |
| InChI Key: | QSMLVSIWVKSNAO-UHFFFAOYSA-N |