1-butoxy-3-(2-methylimidazol-1-yl)propan-2-ol

C11H20N2O2 — CID 22603885

IUPAC1-butoxy-3-(2-methylimidazol-1-yl)propan-2-ol
SMILESCCCCOCC(O)Cn1ccnc1C
InChIInChI=1S/C11H20N2O2/c1-3-4-7-15-9-11(14)8-13-6-5-12-10(13)2/h5-6,11,14H,3-4,7-9H2,1-2H3
InChIKeyPZAHYZLSKYNENE-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.37
Rot. Bonds7

About 1-butoxy-3-(2-methylimidazol-1-yl)propan-2-ol

1-butoxy-3-(2-methylimidazol-1-yl)propan-2-ol (PubChem CID 22603885) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-butoxy-3-(2-methylimidazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-butoxy-3-(2-methylimidazol-1-yl)propan-2-ol
PubChem CID22603885
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-butoxy-3-(2-methylimidazol-1-yl)propan-2-ol
SMILESCCCCOCC(O)Cn1ccnc1C
InChIInChI=1S/C11H20N2O2/c1-3-4-7-15-9-11(14)8-13-6-5-12-10(13)2/h5-6,11,14H,3-4,7-9H2,1-2H3
InChIKeyPZAHYZLSKYNENE-UHFFFAOYSA-N
XLogP1.37
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.37
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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Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-(2-methylimidazol-1-yl)propan-2-ol?
The IUPAC name of 1-butoxy-3-(2-methylimidazol-1-yl)propan-2-ol (CID 22603885) is 1-butoxy-3-(2-methylimidazol-1-yl)propan-2-ol.
What is the SMILES notation for 1-butoxy-3-(2-methylimidazol-1-yl)propan-2-ol?
The canonical SMILES for 1-butoxy-3-(2-methylimidazol-1-yl)propan-2-ol is CCCCOCC(O)Cn1ccnc1C.
What is the InChIKey of 1-butoxy-3-(2-methylimidazol-1-yl)propan-2-ol?
The InChIKey is PZAHYZLSKYNENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-4-7-15-9-11(14)8-13-6-5-12-10(13)2/h5-6,11,14H,3-4,7-9H2,1-2H3.
What are the key properties of 1-butoxy-3-(2-methylimidazol-1-yl)propan-2-ol?
1-butoxy-3-(2-methylimidazol-1-yl)propan-2-ol has a molecular weight of 212.29 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-(2-methylimidazol-1-yl)propan-2-ol is sourced from PubChem (CID 22603885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).