7-(3,3-dimethyl-2-oxobutoxy)-6-hexyl-4-phenyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
7-(3,3-dimethyl-2-oxobutoxy)-6-hexyl-4-phenyl-2H-1-benzopyran-2-one
7-(3,3-dimethyl-2-oxobutoxy)-6-hexyl-4-phenyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 4182-0597 |
| Compound Name: | 7-(3,3-dimethyl-2-oxobutoxy)-6-hexyl-4-phenyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 420.55 |
| Molecular Formula: | C27 H32 O4 |
| Smiles: | CCCCCCc1cc2C(=CC(=O)Oc2cc1OCC(C(C)(C)C)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 7.1631 |
| logD: | 7.1631 |
| logSw: | -5.6661 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.207 |
| InChI Key: | WIVYFQCTFZTIBY-UHFFFAOYSA-N |