1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-ol

C11H20N2O3 — CID 79753127

IUPAC1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-ol
SMILESCCOC(OCC)C(O)Cc1nccn1C
InChIInChI=1S/C11H20N2O3/c1-4-15-11(16-5-2)9(14)8-10-12-6-7-13(10)3/h6-7,9,11,14H,4-5,8H2,1-3H3
InChIKeyLCLMGAGXUZMADQ-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.72
Rot. Bonds7

About 1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-ol

1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-ol (PubChem CID 79753127) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-ol
PubChem CID79753127
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-ol
SMILESCCOC(OCC)C(O)Cc1nccn1C
InChIInChI=1S/C11H20N2O3/c1-4-15-11(16-5-2)9(14)8-10-12-6-7-13(10)3/h6-7,9,11,14H,4-5,8H2,1-3H3
InChIKeyLCLMGAGXUZMADQ-UHFFFAOYSA-N
XLogP0.72
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-yl]hydrazine
CID 105246540
3-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-ol
CID 116711834
3-ethoxy-3-ethyl-1-(1-methylimidazol-2-yl)pentan-2-ol
CID 116752394
ethyl 2-fluoro-3-(1-methylimidazol-2-yl)propanoate
CID 79738546
ethyl 2-amino-3-(1-methylimidazol-2-yl)propanoate
CID 62961673
5-ethoxy-1-(1-methylimidazol-2-yl)pentan-2-ol
CID 105113599
(3E)-3-(ethoxymethylidene)-1-(1-methylimidazol-2-yl)pentan-2-ol
CID 14269784
2-ethyl-1-methylimidazole;ethyl(trihydroxy)phosphanium
CID 174757497
3-ethoxy-4-methyl-1-(1-propylimidazol-2-yl)pentan-2-ol
CID 116712374
1-ethoxy-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 79761877
1-(1-methylimidazol-2-yl)heptane-3,4-diol
CID 103455046
N-ethyl-1-(1-methylimidazol-2-yl)-3-propan-2-yloxypropan-2-amine
CID 105167249

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-ol?
The IUPAC name of 1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-ol (CID 79753127) is 1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-ol.
What is the SMILES notation for 1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-ol?
The canonical SMILES for 1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-ol is CCOC(OCC)C(O)Cc1nccn1C.
What is the InChIKey of 1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-ol?
The InChIKey is LCLMGAGXUZMADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-4-15-11(16-5-2)9(14)8-10-12-6-7-13(10)3/h6-7,9,11,14H,4-5,8H2,1-3H3.
What are the key properties of 1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-ol?
1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-ol has a molecular weight of 228.29 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-ol is sourced from PubChem (CID 79753127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).