3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-ol

C12H22N2O3 — CID 102927681

IUPAC3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-ol
SMILESCCCn1ccnc1C(O)CCOCCOC
InChIInChI=1S/C12H22N2O3/c1-3-6-14-7-5-13-12(14)11(15)4-8-17-10-9-16-2/h5,7,11,15H,3-4,6,8-10H2,1-2H3
InChIKeyKJZFPANQNBMVBE-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.38
Rot. Bonds9

About 3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-ol

3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-ol (PubChem CID 102927681) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-ol
PubChem CID102927681
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-ol
SMILESCCCn1ccnc1C(O)CCOCCOC
InChIInChI=1S/C12H22N2O3/c1-3-6-14-7-5-13-12(14)11(15)4-8-17-10-9-16-2/h5,7,11,15H,3-4,6,8-10H2,1-2H3
InChIKeyKJZFPANQNBMVBE-UHFFFAOYSA-N
XLogP1.38
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-amine
CID 102927817
3-ethoxy-1-(1-ethylimidazol-2-yl)propan-1-ol
CID 105099040
[1-(1-ethylimidazol-2-yl)-3-(2-methoxyethoxy)propyl]hydrazine
CID 102929970
[2-methoxy-1-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105207224
N-ethyl-2-methoxy-1-(1-propylimidazol-2-yl)ethanamine
CID 63970852
1-(1-propylimidazol-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
CID 105098459
1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-propylimidazole
CID 113427513
1-(2-methoxyethoxymethyl)-2-propan-2-ylimidazole
CID 90402630
1-(4-chloro-1-propylpyrazol-5-yl)-3-(2-methoxyethoxy)propan-1-ol
CID 102927699
1-(1-propylimidazol-2-yl)-2-pyridin-2-ylethanol
CID 63977142
N-propyl-1-(1-propylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148700

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-ol?
The IUPAC name of 3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-ol (CID 102927681) is 3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-ol?
The canonical SMILES for 3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-ol is CCCn1ccnc1C(O)CCOCCOC.
What is the InChIKey of 3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-ol?
The InChIKey is KJZFPANQNBMVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-6-14-7-5-13-12(14)11(15)4-8-17-10-9-16-2/h5,7,11,15H,3-4,6,8-10H2,1-2H3.
What are the key properties of 3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-ol?
3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-ol has a molecular weight of 242.32 g/mol, XLogP of 1.38, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-1-(1-propylimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 102927681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).