About (4-fluoro-2-methylphenyl)-(2-methoxy-5-methylphenyl)methanol
(4-fluoro-2-methylphenyl)-(2-methoxy-5-methylphenyl)methanol (PubChem CID 63899302) has the molecular formula C16H17FO2
and a molecular weight of 260.31 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)-(2-methoxy-5-methylphenyl)methanol.
Molecular Properties
| Compound Name | (4-fluoro-2-methylphenyl)-(2-methoxy-5-methylphenyl)methanol |
| PubChem CID | 63899302 |
| Molecular Formula | C16H17FO2 |
| Molecular Weight | 260.31 g/mol |
| Exact Mass | 260.12 |
| IUPAC Name | (4-fluoro-2-methylphenyl)-(2-methoxy-5-methylphenyl)methanol |
| SMILES | COc1ccc(C)cc1C(O)c1ccc(F)cc1C |
| InChI | InChI=1S/C16H17FO2/c1-10-4-7-15(19-3)14(8-10)16(18)13-6-5-12(17)9-11(13)2/h4-9,16,18H,1-3H3 |
| InChIKey | AQHDSDXFIKGHFB-UHFFFAOYSA-N |
| XLogP | 3.53 |
| TPSA | 29.46 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 260.31 |
| LogP ≤ 5 | 3.53 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of (4-fluoro-2-methylphenyl)-(2-methoxy-5-methylphenyl)methanol?
The IUPAC name of (4-fluoro-2-methylphenyl)-(2-methoxy-5-methylphenyl)methanol (CID 63899302) is (4-fluoro-2-methylphenyl)-(2-methoxy-5-methylphenyl)methanol.
What is the SMILES notation for (4-fluoro-2-methylphenyl)-(2-methoxy-5-methylphenyl)methanol?
The canonical SMILES for (4-fluoro-2-methylphenyl)-(2-methoxy-5-methylphenyl)methanol is COc1ccc(C)cc1C(O)c1ccc(F)cc1C.
What is the InChIKey of (4-fluoro-2-methylphenyl)-(2-methoxy-5-methylphenyl)methanol?
The InChIKey is AQHDSDXFIKGHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO2/c1-10-4-7-15(19-3)14(8-10)16(18)13-6-5-12(17)9-11(13)2/h4-9,16,18H,1-3H3.
What are the key properties of (4-fluoro-2-methylphenyl)-(2-methoxy-5-methylphenyl)methanol?
(4-fluoro-2-methylphenyl)-(2-methoxy-5-methylphenyl)methanol has a molecular weight of 260.31 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methylphenyl)-(2-methoxy-5-methylphenyl)methanol is sourced from PubChem (CID 63899302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).