3-methoxy-2-methyl-1-(1-methylimidazol-2-yl)propan-1-ol

C9H16N2O2 — CID 116502502

IUPAC3-methoxy-2-methyl-1-(1-methylimidazol-2-yl)propan-1-ol
SMILESCOCC(C)C(O)c1nccn1C
InChIInChI=1S/C9H16N2O2/c1-7(6-13-3)8(12)9-10-4-5-11(9)2/h4-5,7-8,12H,6H2,1-3H3
InChIKeyVPFQWAXTHPIZFO-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.74
Rot. Bonds4

About 3-methoxy-2-methyl-1-(1-methylimidazol-2-yl)propan-1-ol

3-methoxy-2-methyl-1-(1-methylimidazol-2-yl)propan-1-ol (PubChem CID 116502502) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 3-methoxy-2-methyl-1-(1-methylimidazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-methoxy-2-methyl-1-(1-methylimidazol-2-yl)propan-1-ol
PubChem CID116502502
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name3-methoxy-2-methyl-1-(1-methylimidazol-2-yl)propan-1-ol
SMILESCOCC(C)C(O)c1nccn1C
InChIInChI=1S/C9H16N2O2/c1-7(6-13-3)8(12)9-10-4-5-11(9)2/h4-5,7-8,12H,6H2,1-3H3
InChIKeyVPFQWAXTHPIZFO-UHFFFAOYSA-N
XLogP0.74
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-2-methyl-1-(1-methylimidazol-2-yl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-(1-methylimidazol-2-yl)propane-1,2-diol;hydrochloride
CID 173103248
methyl 3,4-dihydroxy-4-(1-methylimidazol-2-yl)butanoate
CID 171894999
methane;1-(1-methylimidazol-2-yl)ethanol
CID 174578222
1-(1-methylimidazol-2-yl)-2-propylpentan-1-ol
CID 115799892
[4-methoxy-3-methyl-1-(1-methylimidazol-2-yl)butyl]hydrazine
CID 105308328
3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)propan-1-amine
CID 63975168
1-(1-methylimidazol-2-yl)prop-2-en-1-ol
CID 58549926
fluoroform;2-(1-methoxyethyl)-1-methylimidazole
CID 174709320
2-(1-methoxypropyl)-1-methylimidazole
CID 118061871
N,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-amine
CID 63974966
(1R)-1-(1-methylimidazol-2-yl)ethanamine
CID 42220137
1-(1-methylimidazol-2-yl)propane-1-thiol
CID 174522847

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-methyl-1-(1-methylimidazol-2-yl)propan-1-ol?
The IUPAC name of 3-methoxy-2-methyl-1-(1-methylimidazol-2-yl)propan-1-ol (CID 116502502) is 3-methoxy-2-methyl-1-(1-methylimidazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-methoxy-2-methyl-1-(1-methylimidazol-2-yl)propan-1-ol?
The canonical SMILES for 3-methoxy-2-methyl-1-(1-methylimidazol-2-yl)propan-1-ol is COCC(C)C(O)c1nccn1C.
What is the InChIKey of 3-methoxy-2-methyl-1-(1-methylimidazol-2-yl)propan-1-ol?
The InChIKey is VPFQWAXTHPIZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7(6-13-3)8(12)9-10-4-5-11(9)2/h4-5,7-8,12H,6H2,1-3H3.
What are the key properties of 3-methoxy-2-methyl-1-(1-methylimidazol-2-yl)propan-1-ol?
3-methoxy-2-methyl-1-(1-methylimidazol-2-yl)propan-1-ol has a molecular weight of 184.24 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-methyl-1-(1-methylimidazol-2-yl)propan-1-ol is sourced from PubChem (CID 116502502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).