About 2-cyclohexyl-1-(5-methyl-3-pyridinyl)ethanol
2-cyclohexyl-1-(5-methyl-3-pyridinyl)ethanol (PubChem CID 115373791) has the molecular formula C14H21NO
and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-cyclohexyl-1-(5-methyl-3-pyridinyl)ethanol.
Molecular Properties
| Compound Name | 2-cyclohexyl-1-(5-methyl-3-pyridinyl)ethanol |
| PubChem CID | 115373791 |
| Molecular Formula | C14H21NO |
| Molecular Weight | 219.33 g/mol |
| Exact Mass | 219.16 |
| IUPAC Name | 2-cyclohexyl-1-(5-methyl-3-pyridinyl)ethanol |
| SMILES | Cc1cncc(C(O)CC2CCCCC2)c1 |
| InChI | InChI=1S/C14H21NO/c1-11-7-13(10-15-9-11)14(16)8-12-5-3-2-4-6-12/h7,9-10,12,14,16H,2-6,8H2,1H3 |
| InChIKey | SVCXLWOVWMFRNT-UHFFFAOYSA-N |
| XLogP | 3.39 |
| TPSA | 33.12 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 219.33 |
| LogP ≤ 5 | 3.39 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2-cyclohexyl-1-(5-methyl-3-pyridinyl)ethanol?
The IUPAC name of 2-cyclohexyl-1-(5-methyl-3-pyridinyl)ethanol (CID 115373791) is 2-cyclohexyl-1-(5-methyl-3-pyridinyl)ethanol.
What is the SMILES notation for 2-cyclohexyl-1-(5-methyl-3-pyridinyl)ethanol?
The canonical SMILES for 2-cyclohexyl-1-(5-methyl-3-pyridinyl)ethanol is Cc1cncc(C(O)CC2CCCCC2)c1.
What is the InChIKey of 2-cyclohexyl-1-(5-methyl-3-pyridinyl)ethanol?
The InChIKey is SVCXLWOVWMFRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11-7-13(10-15-9-11)14(16)8-12-5-3-2-4-6-12/h7,9-10,12,14,16H,2-6,8H2,1H3.
What are the key properties of 2-cyclohexyl-1-(5-methyl-3-pyridinyl)ethanol?
2-cyclohexyl-1-(5-methyl-3-pyridinyl)ethanol has a molecular weight of 219.33 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(5-methyl-3-pyridinyl)ethanol is sourced from PubChem (CID 115373791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).