4-(2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-(4-methoxyphenyl)butan-1-one
Chemical Structure Depiction of
4-(2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-(4-methoxyphenyl)butan-1-one
4-(2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-(4-methoxyphenyl)butan-1-one
Compound characteristics
| Compound ID: | 8020-8714 |
| Compound Name: | 4-(2H-1,3-benzodioxol-5-yl)-3-hydroxy-1-(4-methoxyphenyl)butan-1-one |
| Molecular Weight: | 314.34 |
| Molecular Formula: | C18 H18 O5 |
| Smiles: | COc1ccc(cc1)C(CC(Cc1ccc2c(c1)OCO2)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0036 |
| logD: | 3.0036 |
| logSw: | -3.0982 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.493 |
| InChI Key: | OJYHHDDPFZXRNZ-CQSZACIVSA-N |