4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-ol

C11H20N2O2 — CID 114529861

IUPAC4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-ol
SMILESCCC(OC)C(O)CCc1nccn1C
InChIInChI=1S/C11H20N2O2/c1-4-10(15-3)9(14)5-6-11-12-7-8-13(11)2/h7-10,14H,4-6H2,1-3H3
InChIKeyDFWAJMBBNPVQEU-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.14
Rot. Bonds6

About 4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-ol

4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-ol (PubChem CID 114529861) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-ol.

Molecular Properties

Compound Name4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-ol
PubChem CID114529861
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-ol
SMILESCCC(OC)C(O)CCc1nccn1C
InChIInChI=1S/C11H20N2O2/c1-4-10(15-3)9(14)5-6-11-12-7-8-13(11)2/h7-10,14H,4-6H2,1-3H3
InChIKeyDFWAJMBBNPVQEU-UHFFFAOYSA-N
XLogP1.14
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylimidazol-2-yl)heptane-3,4-diol
CID 103455046
2-(3-methoxyhexyl)-1-methylimidazole;hydroiodide
CID 173490201
7-(1-methylimidazol-2-yl)heptan-3-ol
CID 114532166
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
[5-methoxy-1-(1-methylimidazol-2-yl)hexan-3-yl]hydrazine
CID 105267141
N-ethyl-6-methoxy-1-(1-methylimidazol-2-yl)heptan-3-amine
CID 105187670
2-ethyl-1-methylimidazole;ethyl(trihydroxy)phosphanium
CID 174757497
4-ethyl-4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-amine
CID 114530777
4-(1-methylimidazol-2-yl)-1-propan-2-yloxybutan-2-ol
CID 105130936
1-(3-methoxy-4-pyridinyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 105066465
2-methoxycarbonyl-4-(1-methylimidazol-2-yl)butanoic acid
CID 114533149
1-(4-aminophenyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 106695562

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-ol?
The IUPAC name of 4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-ol (CID 114529861) is 4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-ol.
What is the SMILES notation for 4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-ol?
The canonical SMILES for 4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-ol is CCC(OC)C(O)CCc1nccn1C.
What is the InChIKey of 4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-ol?
The InChIKey is DFWAJMBBNPVQEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-10(15-3)9(14)5-6-11-12-7-8-13(11)2/h7-10,14H,4-6H2,1-3H3.
What are the key properties of 4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-ol?
4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-ol has a molecular weight of 212.29 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-ol is sourced from PubChem (CID 114529861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).