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

C9H16N2O2 — CID 79744678

IUPAC1-methoxy-2-methyl-3-(1-methylimidazol-2-yl)propan-2-ol
SMILESCOCC(C)(O)Cc1nccn1C
InChIInChI=1S/C9H16N2O2/c1-9(12,7-13-3)6-8-10-4-5-11(8)2/h4-5,12H,6-7H2,1-3H3
InChIKeyMEZYESWFCZJQBY-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.36
Rot. Bonds4

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

1-methoxy-2-methyl-3-(1-methylimidazol-2-yl)propan-2-ol (PubChem CID 79744678) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-methoxy-2-methyl-3-(1-methylimidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-methoxy-2-methyl-3-(1-methylimidazol-2-yl)propan-2-ol
PubChem CID79744678
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-methoxy-2-methyl-3-(1-methylimidazol-2-yl)propan-2-ol
SMILESCOCC(C)(O)Cc1nccn1C
InChIInChI=1S/C9H16N2O2/c1-9(12,7-13-3)6-8-10-4-5-11(8)2/h4-5,12H,6-7H2,1-3H3
InChIKeyMEZYESWFCZJQBY-UHFFFAOYSA-N
XLogP0.36
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 ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-2-methyl-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79744860
1-methoxy-2-[(1-methylimidazol-2-yl)methyl]butan-2-amine
CID 79744904
4-[(1-methylimidazol-2-yl)methyl]heptan-4-ol
CID 114865873
2-methyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 79743993
1-(2-fluorophenyl)-2-methyl-3-(1-methylimidazol-2-yl)propan-2-ol
CID 114832719
1-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]propan-2-amine
CID 114527764
2-(aminomethyl)-1,1,1-trifluoro-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79737849
3,3-dimethyl-4-(1-methylimidazol-2-yl)butanoic acid
CID 81003658
2-methyl-1-[2-(1-methylimidazol-2-yl)ethylamino]butan-2-ol
CID 114493001
3-(1-methylimidazol-2-yl)-2-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 175409591
2-[(1-ethylimidazol-2-yl)methyl]-2-[(1-methylimidazol-2-yl)methyl]propane-1,3-diol
CID 101390378
2-methyl-1-[(1-methylimidazol-2-yl)methylamino]propan-2-ol
CID 63295776

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-3-(1-methylimidazol-2-yl)propan-2-ol?
The IUPAC name of 1-methoxy-2-methyl-3-(1-methylimidazol-2-yl)propan-2-ol (CID 79744678) is 1-methoxy-2-methyl-3-(1-methylimidazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-methoxy-2-methyl-3-(1-methylimidazol-2-yl)propan-2-ol?
The canonical SMILES for 1-methoxy-2-methyl-3-(1-methylimidazol-2-yl)propan-2-ol is COCC(C)(O)Cc1nccn1C.
What is the InChIKey of 1-methoxy-2-methyl-3-(1-methylimidazol-2-yl)propan-2-ol?
The InChIKey is MEZYESWFCZJQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-9(12,7-13-3)6-8-10-4-5-11(8)2/h4-5,12H,6-7H2,1-3H3.
What are the key properties of 1-methoxy-2-methyl-3-(1-methylimidazol-2-yl)propan-2-ol?
1-methoxy-2-methyl-3-(1-methylimidazol-2-yl)propan-2-ol has a molecular weight of 184.24 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methyl-3-(1-methylimidazol-2-yl)propan-2-ol is sourced from PubChem (CID 79744678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).