About (3-ethylcyclohexyl)-(3-propylimidazol-4-yl)methanol
(3-ethylcyclohexyl)-(3-propylimidazol-4-yl)methanol (PubChem CID 66130637) has the molecular formula C15H26N2O
and a molecular weight of 250.39 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-(3-propylimidazol-4-yl)methanol.
Molecular Properties
| Compound Name | (3-ethylcyclohexyl)-(3-propylimidazol-4-yl)methanol |
| PubChem CID | 66130637 |
| Molecular Formula | C15H26N2O |
| Molecular Weight | 250.39 g/mol |
| Exact Mass | 250.20 |
| IUPAC Name | (3-ethylcyclohexyl)-(3-propylimidazol-4-yl)methanol |
| SMILES | CCCn1cncc1C(O)C1CCCC(CC)C1 |
| InChI | InChI=1S/C15H26N2O/c1-3-8-17-11-16-10-14(17)15(18)13-7-5-6-12(4-2)9-13/h10-13,15,18H,3-9H2,1-2H3 |
| InChIKey | NSPKTDDRLNSLHO-UHFFFAOYSA-N |
| XLogP | 3.54 |
| TPSA | 38.05 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 250.39 |
| LogP ≤ 5 | 3.54 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of (3-ethylcyclohexyl)-(3-propylimidazol-4-yl)methanol?
The IUPAC name of (3-ethylcyclohexyl)-(3-propylimidazol-4-yl)methanol (CID 66130637) is (3-ethylcyclohexyl)-(3-propylimidazol-4-yl)methanol.
What is the SMILES notation for (3-ethylcyclohexyl)-(3-propylimidazol-4-yl)methanol?
The canonical SMILES for (3-ethylcyclohexyl)-(3-propylimidazol-4-yl)methanol is CCCn1cncc1C(O)C1CCCC(CC)C1.
What is the InChIKey of (3-ethylcyclohexyl)-(3-propylimidazol-4-yl)methanol?
The InChIKey is NSPKTDDRLNSLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-8-17-11-16-10-14(17)15(18)13-7-5-6-12(4-2)9-13/h10-13,15,18H,3-9H2,1-2H3.
What are the key properties of (3-ethylcyclohexyl)-(3-propylimidazol-4-yl)methanol?
(3-ethylcyclohexyl)-(3-propylimidazol-4-yl)methanol has a molecular weight of 250.39 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl)-(3-propylimidazol-4-yl)methanol is sourced from PubChem (CID 66130637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).