methyl 4-({[3-(4-tert-butylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({[3-(4-tert-butylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}methyl)benzoate
methyl 4-({[3-(4-tert-butylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}methyl)benzoate
Compound characteristics
| Compound ID: | 5976-1771 |
| Compound Name: | methyl 4-({[3-(4-tert-butylphenoxy)-4-oxo-4H-1-benzopyran-7-yl]oxy}methyl)benzoate |
| Molecular Weight: | 458.51 |
| Molecular Formula: | C28 H26 O6 |
| Smiles: | CC(C)(C)c1ccc(cc1)OC1=COc2cc(ccc2C1=O)OCc1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 6.5046 |
| logD: | 6.5046 |
| logSw: | -5.7564 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 55.971 |
| InChI Key: | UXZRQQARHBTZHO-UHFFFAOYSA-N |