4-{[(6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl)oxy]methyl}benzonitrile
Chemical Structure Depiction of
4-{[(6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl)oxy]methyl}benzonitrile
4-{[(6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl)oxy]methyl}benzonitrile
Compound characteristics
| Compound ID: | Y040-2476 |
| Compound Name: | 4-{[(6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl)oxy]methyl}benzonitrile |
| Molecular Weight: | 331.37 |
| Molecular Formula: | C21 H17 N O3 |
| Smiles: | C1CCC2=C(C1)C(=O)Oc1cc(ccc12)OCc1ccc(C#N)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.3078 |
| logD: | 4.3078 |
| logSw: | -4.5451 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 45.364 |
| InChI Key: | AHPMGBASZWNSDJ-UHFFFAOYSA-N |