2-(1H-imidazol-2-yl)-1-(oxolan-3-yl)ethanol

C9H14N2O2 — CID 61277091

IUPAC2-(1H-imidazol-2-yl)-1-(oxolan-3-yl)ethanol
SMILESOC(Cc1ncc[nH]1)C1CCOC1
InChIInChI=1S/C9H14N2O2/c12-8(7-1-4-13-6-7)5-9-10-2-3-11-9/h2-3,7-8,12H,1,4-6H2,(H,10,11)
InChIKeyJQJGEHPABNQTTH-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.35
Rot. Bonds3

About 2-(1H-imidazol-2-yl)-1-(oxolan-3-yl)ethanol

2-(1H-imidazol-2-yl)-1-(oxolan-3-yl)ethanol (PubChem CID 61277091) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-1-(oxolan-3-yl)ethanol.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-1-(oxolan-3-yl)ethanol
PubChem CID61277091
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-(1H-imidazol-2-yl)-1-(oxolan-3-yl)ethanol
SMILESOC(Cc1ncc[nH]1)C1CCOC1
InChIInChI=1S/C9H14N2O2/c12-8(7-1-4-13-6-7)5-9-10-2-3-11-9/h2-3,7-8,12H,1,4-6H2,(H,10,11)
InChIKeyJQJGEHPABNQTTH-UHFFFAOYSA-N
XLogP0.35
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-2-(1H-imidazol-2-yl)ethanol
CID 61083393
1-(oxolan-3-yl)-2-pyridin-2-ylethanol
CID 63562842
2-(1H-imidazol-2-yl)-1-(oxolan-3-yl)ethanone
CID 61271400
N-(1H-imidazol-2-ylmethyl)oxan-3-amine
CID 63359807
2-(2-bromo-2-cycloheptylethyl)-1H-imidazole
CID 62588339
(1S)-2-bromo-1-[(3S)-oxolan-3-yl]ethanol
CID 124679633
1-(1,4-dioxan-2-yl)-N-ethyl-2-(1H-imidazol-2-yl)ethanamine
CID 62804886
2-(3-methylphenyl)-1-(oxolan-3-yl)ethanol
CID 63018675
2-(3-chloro-4-fluorophenyl)-1-(oxolan-3-yl)ethanol
CID 103038984
2-(4,5-dimethylimidazol-1-yl)-1-(oxolan-3-yl)ethanol
CID 104753209
2-(3,5-difluorophenoxy)-1-(oxolan-3-yl)ethanol
CID 104753703
N-methyl-N-(oxolan-3-ylmethyl)-1H-imidazol-2-amine
CID 130899262

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-1-(oxolan-3-yl)ethanol?
The IUPAC name of 2-(1H-imidazol-2-yl)-1-(oxolan-3-yl)ethanol (CID 61277091) is 2-(1H-imidazol-2-yl)-1-(oxolan-3-yl)ethanol.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-1-(oxolan-3-yl)ethanol?
The canonical SMILES for 2-(1H-imidazol-2-yl)-1-(oxolan-3-yl)ethanol is OC(Cc1ncc[nH]1)C1CCOC1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-1-(oxolan-3-yl)ethanol?
The InChIKey is JQJGEHPABNQTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c12-8(7-1-4-13-6-7)5-9-10-2-3-11-9/h2-3,7-8,12H,1,4-6H2,(H,10,11).
What are the key properties of 2-(1H-imidazol-2-yl)-1-(oxolan-3-yl)ethanol?
2-(1H-imidazol-2-yl)-1-(oxolan-3-yl)ethanol has a molecular weight of 182.22 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-1-(oxolan-3-yl)ethanol is sourced from PubChem (CID 61277091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).