2-methyl-7-[(pentafluorophenyl)methoxy]-3-phenoxy-4H-1-benzopyran-4-one
Chemical Structure Depiction of
2-methyl-7-[(pentafluorophenyl)methoxy]-3-phenoxy-4H-1-benzopyran-4-one
2-methyl-7-[(pentafluorophenyl)methoxy]-3-phenoxy-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | Y041-1982 |
| Compound Name: | 2-methyl-7-[(pentafluorophenyl)methoxy]-3-phenoxy-4H-1-benzopyran-4-one |
| Molecular Weight: | 448.34 |
| Molecular Formula: | C23 H13 F5 O4 |
| Smiles: | CC1=C(C(c2ccc(cc2O1)OCc1c(c(c(c(c1F)F)F)F)F)=O)Oc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.8525 |
| logD: | 5.8525 |
| logSw: | -5.6692 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 34.89 |
| InChI Key: | ZHJZBWNVIDVTOC-UHFFFAOYSA-N |