4-butyl-2-oxo-2H-1-benzopyran-7-yl benzoate
Chemical Structure Depiction of
4-butyl-2-oxo-2H-1-benzopyran-7-yl benzoate
4-butyl-2-oxo-2H-1-benzopyran-7-yl benzoate
Compound characteristics
| Compound ID: | Y040-2150 |
| Compound Name: | 4-butyl-2-oxo-2H-1-benzopyran-7-yl benzoate |
| Molecular Weight: | 322.36 |
| Molecular Formula: | C20 H18 O4 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(ccc12)OC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3626 |
| logD: | 4.3626 |
| logSw: | -4.4653 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.023 |
| InChI Key: | HHKDZDXMIIYKNA-UHFFFAOYSA-N |