4-methyl-7-(3-methylbutoxy)-3-(3-methylbutyl)-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-methyl-7-(3-methylbutoxy)-3-(3-methylbutyl)-2H-1-benzopyran-2-one
4-methyl-7-(3-methylbutoxy)-3-(3-methylbutyl)-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | D060-0005 |
| Compound Name: | 4-methyl-7-(3-methylbutoxy)-3-(3-methylbutyl)-2H-1-benzopyran-2-one |
| Molecular Weight: | 316.44 |
| Molecular Formula: | C20 H28 O3 |
| Smiles: | CC(C)CCC1=C(C)c2ccc(cc2OC1=O)OCCC(C)C |
| Stereo: | ACHIRAL |
| logP: | 5.9743 |
| logD: | 5.9743 |
| logSw: | -5.491 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.5778 |
| InChI Key: | IBBJPJCVRYHPHP-UHFFFAOYSA-N |