6-acetyl-4-butyl-7-hydroxy-8-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-acetyl-4-butyl-7-hydroxy-8-methyl-2H-1-benzopyran-2-one
6-acetyl-4-butyl-7-hydroxy-8-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y041-3700 |
| Compound Name: | 6-acetyl-4-butyl-7-hydroxy-8-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 274.31 |
| Molecular Formula: | C16 H18 O4 |
| Smiles: | CCCCC1=CC(=O)Oc2c1cc(C(C)=O)c(c2C)O |
| Stereo: | ACHIRAL |
| logP: | 3.593 |
| logD: | 3.5797 |
| logSw: | -3.5731 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.636 |
| InChI Key: | LNMAZSRWZCSCSY-UHFFFAOYSA-N |