4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl benzoate
Chemical Structure Depiction of
4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl benzoate
4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl benzoate
Compound characteristics
| Compound ID: | Y040-2168 |
| Compound Name: | 4-butyl-8-methyl-2-oxo-2H-1-benzopyran-7-yl benzoate |
| Molecular Weight: | 336.39 |
| Molecular Formula: | C21 H20 O4 |
| Smiles: | CCCCC1=CC(=O)Oc2c1ccc(c2C)OC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9656 |
| logD: | 4.9656 |
| logSw: | -4.8168 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 40.794 |
| InChI Key: | PBFZYUTUWNUVHM-UHFFFAOYSA-N |