HuagongsheHuagongshe Chemistry Print Report · For research reference only
1-Ethynyl-3-(3-methoxyphenoxy)benzene
1-Ethynyl-3-(3-methoxyphenoxy)benzene
Identifiers & Physical Properties
| CAS No. | 937593-86-7 |
|---|---|
| Molecular formula | C15H12O2 |
| Average molar mass | 224.25 g/mol |
| Monoisotopic mass | 224.08372962 g/mol |
| SMILES | C#Cc1cccc(Oc2cccc(OC)c2)c1 |
| InChIKey | CPOOXOFSHDSLKO-UHFFFAOYSA-N |
| PubChem CID | 53440468 |
| DTXSID | DTXSID70702600 |
Chemical & Physical Properties
| XLogP | 3.7 |
|---|---|
| Topological polar surface area | 18.5 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 4 |
| Heavy atoms | 17 |
| Formal charge | 0 |
| Complexity | 278 |