3-hexyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-hexyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
3-hexyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y041-3035 |
| Compound Name: | 3-hexyl-7-hydroxy-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 260.33 |
| Molecular Formula: | C16 H20 O3 |
| Smiles: | CCCCCCC1=C(C)c2ccc(cc2OC1=O)O |
| Stereo: | ACHIRAL |
| logP: | 4.6327 |
| logD: | 4.6035 |
| logSw: | -4.496 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.777 |
| InChI Key: | RCRLOVSDQMDTML-UHFFFAOYSA-N |