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

C11H20N2O2 — CID 79744860

IUPAC1-methoxy-2-methyl-3-(1-propylimidazol-2-yl)propan-2-ol
SMILESCCCn1ccnc1CC(C)(O)COC
InChIInChI=1S/C11H20N2O2/c1-4-6-13-7-5-12-10(13)8-11(2,14)9-15-3/h5,7,14H,4,6,8-9H2,1-3H3
InChIKeyVVHCKJKUGZMFBH-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.23
Rot. Bonds6

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

1-methoxy-2-methyl-3-(1-propylimidazol-2-yl)propan-2-ol (PubChem CID 79744860) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-methoxy-2-methyl-3-(1-propylimidazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-methoxy-2-methyl-3-(1-propylimidazol-2-yl)propan-2-ol
PubChem CID79744860
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-methoxy-2-methyl-3-(1-propylimidazol-2-yl)propan-2-ol
SMILESCCCn1ccnc1CC(C)(O)COC
InChIInChI=1S/C11H20N2O2/c1-4-6-13-7-5-12-10(13)8-11(2,14)9-15-3/h5,7,14H,4,6,8-9H2,1-3H3
InChIKeyVVHCKJKUGZMFBH-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-2-methyl-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79744678
3-methoxy-2,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-ol
CID 114228321
2-methyl-1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79760722
6,6,6-trifluoro-2-methyl-1-(1-propylimidazol-2-yl)hexan-2-ol
CID 116535799
4-(tert-butylamino)-2-methyl-1-(1-propylimidazol-2-yl)butan-2-ol
CID 79761465
2-phenyl-1-(1-propylimidazol-2-yl)propan-2-ol
CID 79744122
N-[(2-methylpropan-2-yl)oxy]-1-(1-propylimidazol-2-yl)methanamine
CID 82720219
2-(3,4-dimethylphenyl)-1-(1-propylimidazol-2-yl)propan-2-ol
CID 79744402
2-(2,5-dimethylphenyl)-1-(1-propylimidazol-2-yl)propan-2-ol
CID 79744677
2-(4-bromo-2,2-dimethylpentyl)-1-propylimidazole
CID 79762064
3-amino-1,1,1-trifluoro-2-[(1-propylimidazol-2-yl)methyl]butan-2-ol
CID 79738150
3-methyl-N-[(1-propylimidazol-2-yl)methyl]pentan-3-amine
CID 106328036

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methyl-3-(1-propylimidazol-2-yl)propan-2-ol?
The IUPAC name of 1-methoxy-2-methyl-3-(1-propylimidazol-2-yl)propan-2-ol (CID 79744860) is 1-methoxy-2-methyl-3-(1-propylimidazol-2-yl)propan-2-ol.
What is the SMILES notation for 1-methoxy-2-methyl-3-(1-propylimidazol-2-yl)propan-2-ol?
The canonical SMILES for 1-methoxy-2-methyl-3-(1-propylimidazol-2-yl)propan-2-ol is CCCn1ccnc1CC(C)(O)COC.
What is the InChIKey of 1-methoxy-2-methyl-3-(1-propylimidazol-2-yl)propan-2-ol?
The InChIKey is VVHCKJKUGZMFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-6-13-7-5-12-10(13)8-11(2,14)9-15-3/h5,7,14H,4,6,8-9H2,1-3H3.
What are the key properties of 1-methoxy-2-methyl-3-(1-propylimidazol-2-yl)propan-2-ol?
1-methoxy-2-methyl-3-(1-propylimidazol-2-yl)propan-2-ol has a molecular weight of 212.29 g/mol, XLogP of 1.23, 6 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-propylimidazol-2-yl)propan-2-ol is sourced from PubChem (CID 79744860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).