4-butyl-7-hydroxy-8-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-7-hydroxy-8-methyl-2H-1-benzopyran-2-one
4-butyl-7-hydroxy-8-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 4182-0077 |
| Compound Name: | 4-butyl-7-hydroxy-8-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 232.28 |
| Molecular Formula: | C14 H16 O3 |
| Smiles: | CCCCC1=CC(=O)Oc2c1ccc(c2C)O |
| Stereo: | ACHIRAL |
| logP: | 3.4723 |
| logD: | 3.4677 |
| logSw: | -3.316 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.878 |
| InChI Key: | MDWSJIOFAJKBJY-UHFFFAOYSA-N |