4-butyl-8-methyl-7-[(3-methylbut-2-en-1-yl)oxy]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-butyl-8-methyl-7-[(3-methylbut-2-en-1-yl)oxy]-2H-1-benzopyran-2-one
4-butyl-8-methyl-7-[(3-methylbut-2-en-1-yl)oxy]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y040-2186 |
| Compound Name: | 4-butyl-8-methyl-7-[(3-methylbut-2-en-1-yl)oxy]-2H-1-benzopyran-2-one |
| Molecular Weight: | 300.4 |
| Molecular Formula: | C19 H24 O3 |
| Smiles: | CCCCC1=CC(=O)Oc2c1ccc(c2C)OCC=C(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.7331 |
| logD: | 5.7331 |
| logSw: | -5.5068 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.8343 |
| InChI Key: | DXBJXKYCTPCIDE-UHFFFAOYSA-N |