3-ethoxy-1-(1-ethylimidazol-2-yl)propan-1-ol

C10H18N2O2 — CID 105099040

IUPAC3-ethoxy-1-(1-ethylimidazol-2-yl)propan-1-ol
SMILESCCOCCC(O)c1nccn1CC
InChIInChI=1S/C10H18N2O2/c1-3-12-7-6-11-10(12)9(13)5-8-14-4-2/h6-7,9,13H,3-5,8H2,1-2H3
InChIKeyJTORIIJVZNFFDD-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.36
Rot. Bonds6

About 3-ethoxy-1-(1-ethylimidazol-2-yl)propan-1-ol

3-ethoxy-1-(1-ethylimidazol-2-yl)propan-1-ol (PubChem CID 105099040) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 3-ethoxy-1-(1-ethylimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-ethoxy-1-(1-ethylimidazol-2-yl)propan-1-ol
PubChem CID105099040
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name3-ethoxy-1-(1-ethylimidazol-2-yl)propan-1-ol
SMILESCCOCCC(O)c1nccn1CC
InChIInChI=1S/C10H18N2O2/c1-3-12-7-6-11-10(12)9(13)5-8-14-4-2/h6-7,9,13H,3-5,8H2,1-2H3
InChIKeyJTORIIJVZNFFDD-UHFFFAOYSA-N
XLogP1.36
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-propoxy-1-(1-propylimidazol-2-yl)propan-1-ol
CID 105098448
[3-ethoxy-1-(1-ethylimidazol-2-yl)propyl]hydrazine
CID 105308547
3-ethoxy-N-ethyl-1-(1-ethylimidazol-2-yl)propan-1-amine
CID 105149887
3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-ol
CID 102927681
5-ethoxy-1-(1-ethylimidazol-2-yl)pentan-2-ol
CID 105112379
3-ethoxy-1-(1-methylimidazol-2-yl)propan-1-amine
CID 105149670
1-(1-ethylimidazol-2-yl)-2-phenylethanol
CID 63976496
1-(1-ethylimidazol-2-yl)-2-methoxypropan-1-ol
CID 79616649
[1-(1-ethylimidazol-2-yl)-3-(2-methoxyethoxy)propyl]hydrazine
CID 102929970
1-(1-ethylimidazol-2-yl)-3-(furan-2-yl)propan-1-ol
CID 105098994
1-(3-ethoxypropyl)-2-propan-2-ylimidazole
CID 65177942
2-butan-2-ylsulfanyl-1-(1-ethylimidazol-2-yl)ethanol
CID 65136113

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(1-ethylimidazol-2-yl)propan-1-ol?
The IUPAC name of 3-ethoxy-1-(1-ethylimidazol-2-yl)propan-1-ol (CID 105099040) is 3-ethoxy-1-(1-ethylimidazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-ethoxy-1-(1-ethylimidazol-2-yl)propan-1-ol?
The canonical SMILES for 3-ethoxy-1-(1-ethylimidazol-2-yl)propan-1-ol is CCOCCC(O)c1nccn1CC.
What is the InChIKey of 3-ethoxy-1-(1-ethylimidazol-2-yl)propan-1-ol?
The InChIKey is JTORIIJVZNFFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-3-12-7-6-11-10(12)9(13)5-8-14-4-2/h6-7,9,13H,3-5,8H2,1-2H3.
What are the key properties of 3-ethoxy-1-(1-ethylimidazol-2-yl)propan-1-ol?
3-ethoxy-1-(1-ethylimidazol-2-yl)propan-1-ol has a molecular weight of 198.27 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(1-ethylimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 105099040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).