2-methylpropyl 2-{[3-(4-tert-butylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate
Chemical Structure Depiction of
2-methylpropyl 2-{[3-(4-tert-butylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate
2-methylpropyl 2-{[3-(4-tert-butylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate
Compound characteristics
| Compound ID: | 3793-3267 |
| Compound Name: | 2-methylpropyl 2-{[3-(4-tert-butylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}propanoate |
| Molecular Weight: | 438.52 |
| Molecular Formula: | C26 H30 O6 |
| Smiles: | CC(C)COC(C(C)Oc1ccc2C(C(=COc2c1)Oc1ccc(cc1)C(C)(C)C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1333 |
| logD: | 6.1333 |
| logSw: | -5.5593 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.488 |
| InChI Key: | SJCSQGMWEYVMEX-KRWDZBQOSA-N |