About bis(4-fluoro-2-methylphenyl)methanol
bis(4-fluoro-2-methylphenyl)methanol (PubChem CID 14371387) has the molecular formula C15H14F2O
and a molecular weight of 248.27 g/mol. Its IUPAC name is bis(4-fluoro-2-methylphenyl)methanol.
Molecular Properties
| Compound Name | bis(4-fluoro-2-methylphenyl)methanol |
| PubChem CID | 14371387 |
| Molecular Formula | C15H14F2O |
| Molecular Weight | 248.27 g/mol |
| Exact Mass | 248.10 |
| IUPAC Name | bis(4-fluoro-2-methylphenyl)methanol |
| SMILES | Cc1cc(F)ccc1C(O)c1ccc(F)cc1C |
| InChI | InChI=1S/C15H14F2O/c1-9-7-11(16)3-5-13(9)15(18)14-6-4-12(17)8-10(14)2/h3-8,15,18H,1-2H3 |
| InChIKey | CXZXAFFPRWIDTH-UHFFFAOYSA-N |
| XLogP | 3.66 |
| TPSA | 20.23 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 248.27 |
| LogP ≤ 5 | 3.66 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of bis(4-fluoro-2-methylphenyl)methanol?
The IUPAC name of bis(4-fluoro-2-methylphenyl)methanol (CID 14371387) is bis(4-fluoro-2-methylphenyl)methanol.
What is the SMILES notation for bis(4-fluoro-2-methylphenyl)methanol?
The canonical SMILES for bis(4-fluoro-2-methylphenyl)methanol is Cc1cc(F)ccc1C(O)c1ccc(F)cc1C.
What is the InChIKey of bis(4-fluoro-2-methylphenyl)methanol?
The InChIKey is CXZXAFFPRWIDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O/c1-9-7-11(16)3-5-13(9)15(18)14-6-4-12(17)8-10(14)2/h3-8,15,18H,1-2H3.
What are the key properties of bis(4-fluoro-2-methylphenyl)methanol?
bis(4-fluoro-2-methylphenyl)methanol has a molecular weight of 248.27 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-fluoro-2-methylphenyl)methanol is sourced from PubChem (CID 14371387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).