About 4-(2-methoxyphenyl)-2-phenylthiophene
4-(2-methoxyphenyl)-2-phenylthiophene (PubChem CID 102031786) has the molecular formula C17H14OS
and a molecular weight of 266.37 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-2-phenylthiophene.
Molecular Properties
| Compound Name | 4-(2-methoxyphenyl)-2-phenylthiophene |
| PubChem CID | 102031786 |
| Molecular Formula | C17H14OS |
| Molecular Weight | 266.37 g/mol |
| Exact Mass | 266.08 |
| IUPAC Name | 4-(2-methoxyphenyl)-2-phenylthiophene |
| SMILES | COc1ccccc1-c1csc(-c2ccccc2)c1 |
| InChI | InChI=1S/C17H14OS/c1-18-16-10-6-5-9-15(16)14-11-17(19-12-14)13-7-3-2-4-8-13/h2-12H,1H3 |
| InChIKey | RVBFHVDIDOXSEZ-UHFFFAOYSA-N |
| XLogP | 5.09 |
| TPSA | 9.23 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 266.37 |
| LogP ≤ 5 | 5.09 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 4-(2-methoxyphenyl)-2-phenylthiophene?
The IUPAC name of 4-(2-methoxyphenyl)-2-phenylthiophene (CID 102031786) is 4-(2-methoxyphenyl)-2-phenylthiophene.
What is the SMILES notation for 4-(2-methoxyphenyl)-2-phenylthiophene?
The canonical SMILES for 4-(2-methoxyphenyl)-2-phenylthiophene is COc1ccccc1-c1csc(-c2ccccc2)c1.
What is the InChIKey of 4-(2-methoxyphenyl)-2-phenylthiophene?
The InChIKey is RVBFHVDIDOXSEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14OS/c1-18-16-10-6-5-9-15(16)14-11-17(19-12-14)13-7-3-2-4-8-13/h2-12H,1H3.
What are the key properties of 4-(2-methoxyphenyl)-2-phenylthiophene?
4-(2-methoxyphenyl)-2-phenylthiophene has a molecular weight of 266.37 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-2-phenylthiophene is sourced from PubChem (CID 102031786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).