About (6-methoxypyridazin-3-yl)-(4-propoxyphenyl)methanol
(6-methoxypyridazin-3-yl)-(4-propoxyphenyl)methanol (PubChem CID 103373461) has the molecular formula C15H18N2O3
and a molecular weight of 274.32 g/mol. Its IUPAC name is (6-methoxypyridazin-3-yl)-(4-propoxyphenyl)methanol.
Molecular Properties
| Compound Name | (6-methoxypyridazin-3-yl)-(4-propoxyphenyl)methanol |
| PubChem CID | 103373461 |
| Molecular Formula | C15H18N2O3 |
| Molecular Weight | 274.32 g/mol |
| Exact Mass | 274.13 |
| IUPAC Name | (6-methoxypyridazin-3-yl)-(4-propoxyphenyl)methanol |
| SMILES | CCCOc1ccc(C(O)c2ccc(OC)nn2)cc1 |
| InChI | InChI=1S/C15H18N2O3/c1-3-10-20-12-6-4-11(5-7-12)15(18)13-8-9-14(19-2)17-16-13/h4-9,15,18H,3,10H2,1-2H3 |
| InChIKey | ABNKJNKTKNTGIP-UHFFFAOYSA-N |
| XLogP | 2.36 |
| TPSA | 64.47 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 20 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 274.32 |
| LogP ≤ 5 | 2.36 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of (6-methoxypyridazin-3-yl)-(4-propoxyphenyl)methanol?
The IUPAC name of (6-methoxypyridazin-3-yl)-(4-propoxyphenyl)methanol (CID 103373461) is (6-methoxypyridazin-3-yl)-(4-propoxyphenyl)methanol.
What is the SMILES notation for (6-methoxypyridazin-3-yl)-(4-propoxyphenyl)methanol?
The canonical SMILES for (6-methoxypyridazin-3-yl)-(4-propoxyphenyl)methanol is CCCOc1ccc(C(O)c2ccc(OC)nn2)cc1.
What is the InChIKey of (6-methoxypyridazin-3-yl)-(4-propoxyphenyl)methanol?
The InChIKey is ABNKJNKTKNTGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-10-20-12-6-4-11(5-7-12)15(18)13-8-9-14(19-2)17-16-13/h4-9,15,18H,3,10H2,1-2H3.
What are the key properties of (6-methoxypyridazin-3-yl)-(4-propoxyphenyl)methanol?
(6-methoxypyridazin-3-yl)-(4-propoxyphenyl)methanol has a molecular weight of 274.32 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxypyridazin-3-yl)-(4-propoxyphenyl)methanol is sourced from PubChem (CID 103373461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).