tert-butyl [(5-hydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl)oxy]acetate
Chemical Structure Depiction of
tert-butyl [(5-hydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl)oxy]acetate
tert-butyl [(5-hydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl)oxy]acetate
Compound characteristics
| Compound ID: | Y042-9713 |
| Compound Name: | tert-butyl [(5-hydroxy-4-oxo-2-phenyl-4H-1-benzopyran-7-yl)oxy]acetate |
| Molecular Weight: | 368.38 |
| Molecular Formula: | C21 H20 O6 |
| Smiles: | CC(C)(C)OC(COc1cc(c2C(C=C(c3ccccc3)Oc2c1)=O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7487 |
| logD: | 4.7451 |
| logSw: | -4.5259 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.101 |
| InChI Key: | TWBYICCJKQMSBJ-UHFFFAOYSA-N |