3-hexyl-7,8-dihydroxy-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-hexyl-7,8-dihydroxy-4-methyl-2H-1-benzopyran-2-one
3-hexyl-7,8-dihydroxy-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y041-3561 |
| Compound Name: | 3-hexyl-7,8-dihydroxy-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 276.33 |
| Molecular Formula: | C16 H20 O4 |
| Smiles: | CCCCCCC1=C(C)c2ccc(c(c2OC1=O)O)O |
| Stereo: | ACHIRAL |
| logP: | 4.6903 |
| logD: | 4.6285 |
| logSw: | -4.331 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.872 |
| InChI Key: | PCSMMQGQHGLTOY-UHFFFAOYSA-N |