4-butyl-6,7-dihydroxy-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-6,7-dihydroxy-2H-1-benzopyran-2-one
4-butyl-6,7-dihydroxy-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D715-2450 |
| Compound Name: | 4-butyl-6,7-dihydroxy-2H-1-benzopyran-2-one |
| Molecular Weight: | 234.25 |
| Molecular Formula: | C13 H14 O4 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(c(cc12)O)O |
| Stereo: | ACHIRAL |
| logP: | 2.5197 |
| logD: | 2.4579 |
| logSw: | -2.5172 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.742 |
| InChI Key: | WJBWKTBZEDZSTF-UHFFFAOYSA-N |