4-[4-(hexyloxy)phenyl]-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-[4-(hexyloxy)phenyl]-4-oxobut-2-enoic acid
4-[4-(hexyloxy)phenyl]-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | 0088-0014 |
| Compound Name: | 4-[4-(hexyloxy)phenyl]-4-oxobut-2-enoic acid |
| Molecular Weight: | 276.33 |
| Molecular Formula: | C16 H20 O4 |
| Smiles: | CCCCCCOc1ccc(cc1)C(/C=C/C(O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0587 |
| logD: | -1.3932 |
| logSw: | -3.8624 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.287 |
| InChI Key: | GQKZSPXSUCFRMN-ZHACJKMWSA-N |