About [4-[(3-methoxyphenyl)methoxy]-6-methyl-3-pyridinyl]methanol
[4-[(3-methoxyphenyl)methoxy]-6-methyl-3-pyridinyl]methanol (PubChem CID 81237760) has the molecular formula C15H17NO3
and a molecular weight of 259.31 g/mol. Its IUPAC name is [4-[(3-methoxyphenyl)methoxy]-6-methyl-3-pyridinyl]methanol.
Molecular Properties
| Compound Name | [4-[(3-methoxyphenyl)methoxy]-6-methyl-3-pyridinyl]methanol |
| PubChem CID | 81237760 |
| Molecular Formula | C15H17NO3 |
| Molecular Weight | 259.31 g/mol |
| Exact Mass | 259.12 |
| IUPAC Name | [4-[(3-methoxyphenyl)methoxy]-6-methyl-3-pyridinyl]methanol |
| SMILES | COc1cccc(COc2cc(C)ncc2CO)c1 |
| InChI | InChI=1S/C15H17NO3/c1-11-6-15(13(9-17)8-16-11)19-10-12-4-3-5-14(7-12)18-2/h3-8,17H,9-10H2,1-2H3 |
| InChIKey | JFTXRRNFBQSNJL-UHFFFAOYSA-N |
| XLogP | 2.47 |
| TPSA | 51.58 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 19 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 259.31 |
| LogP ≤ 5 | 2.47 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of [4-[(3-methoxyphenyl)methoxy]-6-methyl-3-pyridinyl]methanol?
The IUPAC name of [4-[(3-methoxyphenyl)methoxy]-6-methyl-3-pyridinyl]methanol (CID 81237760) is [4-[(3-methoxyphenyl)methoxy]-6-methyl-3-pyridinyl]methanol.
What is the SMILES notation for [4-[(3-methoxyphenyl)methoxy]-6-methyl-3-pyridinyl]methanol?
The canonical SMILES for [4-[(3-methoxyphenyl)methoxy]-6-methyl-3-pyridinyl]methanol is COc1cccc(COc2cc(C)ncc2CO)c1.
What is the InChIKey of [4-[(3-methoxyphenyl)methoxy]-6-methyl-3-pyridinyl]methanol?
The InChIKey is JFTXRRNFBQSNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-11-6-15(13(9-17)8-16-11)19-10-12-4-3-5-14(7-12)18-2/h3-8,17H,9-10H2,1-2H3.
What are the key properties of [4-[(3-methoxyphenyl)methoxy]-6-methyl-3-pyridinyl]methanol?
[4-[(3-methoxyphenyl)methoxy]-6-methyl-3-pyridinyl]methanol has a molecular weight of 259.31 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methoxyphenyl)methoxy]-6-methyl-3-pyridinyl]methanol is sourced from PubChem (CID 81237760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).