4-hydroxy-3-{3-[4-(pentyloxy)phenyl]prop-2-enoyl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-hydroxy-3-{3-[4-(pentyloxy)phenyl]prop-2-enoyl}-2H-1-benzopyran-2-one
4-hydroxy-3-{3-[4-(pentyloxy)phenyl]prop-2-enoyl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K815-0021 |
| Compound Name: | 4-hydroxy-3-{3-[4-(pentyloxy)phenyl]prop-2-enoyl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 378.42 |
| Molecular Formula: | C23 H22 O5 |
| Smiles: | CCCCCOc1ccc(/C=C/C(C2=C(c3ccccc3OC2=O)O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8784 |
| logD: | -0.0046 |
| logSw: | -4.5186 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.624 |
| InChI Key: | SCTDDJCKDIVSMC-UHFFFAOYSA-N |