1-(adamantan-1-yl)-3-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}prop-2-en-1-one
Chemical Structure Depiction of
1-(adamantan-1-yl)-3-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}prop-2-en-1-one
1-(adamantan-1-yl)-3-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}prop-2-en-1-one
Compound characteristics
| Compound ID: | Y505-4601 |
| Compound Name: | 1-(adamantan-1-yl)-3-{3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}prop-2-en-1-one |
| Molecular Weight: | 420.52 |
| Molecular Formula: | C27 H29 F O3 |
| Smiles: | COc1ccc(/C=C/C(C23CC4CC(CC(C4)C3)C2)=O)cc1COc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 6.9791 |
| logD: | 6.9791 |
| logSw: | -5.7733 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 28.1051 |
| InChI Key: | NPMSZIYXZZTPCV-UHFFFAOYSA-N |