3-hexyl-7-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-methyl-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-hexyl-7-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-methyl-2H-1-benzopyran-2-one
3-hexyl-7-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-methyl-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | Y041-3021 |
| Compound Name: | 3-hexyl-7-[2-(3-methoxyphenyl)-2-oxoethoxy]-4-methyl-2H-1-benzopyran-2-one |
| Molecular Weight: | 408.49 |
| Molecular Formula: | C25 H28 O5 |
| Smiles: | CCCCCCC1=C(C)c2ccc(cc2OC1=O)OCC(c1cccc(c1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3118 |
| logD: | 6.3118 |
| logSw: | -5.4004 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.178 |
| InChI Key: | VCAQLIKFPHQPGB-UHFFFAOYSA-N |