1-(adamantan-1-yl)-4-{5-[(4-chlorophenoxy)methyl]furan-2-yl}but-3-en-2-one
Chemical Structure Depiction of
1-(adamantan-1-yl)-4-{5-[(4-chlorophenoxy)methyl]furan-2-yl}but-3-en-2-one
1-(adamantan-1-yl)-4-{5-[(4-chlorophenoxy)methyl]furan-2-yl}but-3-en-2-one
Compound characteristics
| Compound ID: | Y503-4132 |
| Compound Name: | 1-(adamantan-1-yl)-4-{5-[(4-chlorophenoxy)methyl]furan-2-yl}but-3-en-2-one |
| Molecular Weight: | 410.94 |
| Molecular Formula: | C25 H27 Cl O3 |
| Smiles: | C1C2CC3CC1CC(C2)(C3)CC(/C=C/c1ccc(COc2ccc(cc2)[Cl])o1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.9648 |
| logD: | 6.9648 |
| logSw: | -6.6452 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 26.9948 |
| InChI Key: | ZLOZITJELDABTB-UHFFFAOYSA-N |