4-butyl-7-hydroxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-7-hydroxy-2H-1-benzopyran-2-one
4-butyl-7-hydroxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-6799 |
| Compound Name: | 4-butyl-7-hydroxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 218.25 |
| Molecular Formula: | C13 H14 O3 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(ccc12)O |
| Stereo: | ACHIRAL |
| logP: | 2.9002 |
| logD: | 2.871 |
| logSw: | -3.0634 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.263 |
| InChI Key: | BPCUVPFNRWFFIJ-UHFFFAOYSA-N |