4-butyl-5-hydroxy-7-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-5-hydroxy-7-methyl-2H-1-benzopyran-2-one
4-butyl-5-hydroxy-7-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D715-2452 |
| Compound Name: | 4-butyl-5-hydroxy-7-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 232.28 |
| Molecular Formula: | C14 H16 O3 |
| Smiles: | CCCCC1=CC(=O)Oc2cc(C)cc(c12)O |
| Stereo: | ACHIRAL |
| logP: | 3.7795 |
| logD: | 3.6127 |
| logSw: | -3.6632 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.194 |
| InChI Key: | MPUOVBFEKQXBKX-UHFFFAOYSA-N |