About (2-fluorophenyl)-(4-propylphenyl)methanol
(2-fluorophenyl)-(4-propylphenyl)methanol (PubChem CID 61087386) has the molecular formula C16H17FO
and a molecular weight of 244.31 g/mol. Its IUPAC name is (2-fluorophenyl)-(4-propylphenyl)methanol.
Molecular Properties
| Compound Name | (2-fluorophenyl)-(4-propylphenyl)methanol |
| PubChem CID | 61087386 |
| Molecular Formula | C16H17FO |
| Molecular Weight | 244.31 g/mol |
| Exact Mass | 244.13 |
| IUPAC Name | (2-fluorophenyl)-(4-propylphenyl)methanol |
| SMILES | CCCc1ccc(C(O)c2ccccc2F)cc1 |
| InChI | InChI=1S/C16H17FO/c1-2-5-12-8-10-13(11-9-12)16(18)14-6-3-4-7-15(14)17/h3-4,6-11,16,18H,2,5H2,1H3 |
| InChIKey | QDUOJWTVQHTKOE-UHFFFAOYSA-N |
| XLogP | 3.86 |
| TPSA | 20.23 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 244.31 |
| LogP ≤ 5 | 3.86 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of (2-fluorophenyl)-(4-propylphenyl)methanol?
The IUPAC name of (2-fluorophenyl)-(4-propylphenyl)methanol (CID 61087386) is (2-fluorophenyl)-(4-propylphenyl)methanol.
What is the SMILES notation for (2-fluorophenyl)-(4-propylphenyl)methanol?
The canonical SMILES for (2-fluorophenyl)-(4-propylphenyl)methanol is CCCc1ccc(C(O)c2ccccc2F)cc1.
What is the InChIKey of (2-fluorophenyl)-(4-propylphenyl)methanol?
The InChIKey is QDUOJWTVQHTKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO/c1-2-5-12-8-10-13(11-9-12)16(18)14-6-3-4-7-15(14)17/h3-4,6-11,16,18H,2,5H2,1H3.
What are the key properties of (2-fluorophenyl)-(4-propylphenyl)methanol?
(2-fluorophenyl)-(4-propylphenyl)methanol has a molecular weight of 244.31 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(4-propylphenyl)methanol is sourced from PubChem (CID 61087386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).