4-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol

C12H19NO2 — CID 105096922

IUPAC4-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol
SMILESCOCC(C)CC(O)c1ccc(C)nc1
InChIInChI=1S/C12H19NO2/c1-9(8-15-3)6-12(14)11-5-4-10(2)13-7-11/h4-5,7,9,12,14H,6,8H2,1-3H3
InChIKeyJXDGVJKMCQFMBL-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.10
Rot. Bonds5

About 4-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol

4-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol (PubChem CID 105096922) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol
PubChem CID105096922
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol
SMILESCOCC(C)CC(O)c1ccc(C)nc1
InChIInChI=1S/C12H19NO2/c1-9(8-15-3)6-12(14)11-5-4-10(2)13-7-11/h4-5,7,9,12,14H,6,8H2,1-3H3
InChIKeyJXDGVJKMCQFMBL-UHFFFAOYSA-N
XLogP2.10
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-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

3-methyl-1-(6-methyl-3-pyridinyl)hexan-1-ol
CID 104823063
1-(3,4-dimethylphenyl)-4-methoxy-3-methylbutan-1-ol
CID 105091703
4-methoxy-3-methyl-1-pyrimidin-5-ylbutan-1-ol
CID 105083775
3-ethyl-1-(6-methyl-3-pyridinyl)pentan-1-ol
CID 104823060
3-ethoxy-1-(6-methyl-3-pyridinyl)propan-1-ol
CID 105096914
1-(1-ethylpyrazol-4-yl)-4-methoxy-3-methylbutan-1-ol
CID 105081848
4-methoxy-1-(5-methoxy-3-pyridinyl)-3-methylbutan-1-ol
CID 105121262
2-methoxy-1-(6-methoxy-3-pyridinyl)ethanol
CID 114937935
1-(2,3-dihydro-1H-inden-5-yl)-4-methoxy-3-methylbutan-1-ol
CID 114195093
1-(6-methyl-3-pyridinyl)-2-methylsulfonylethanol
CID 115609857
[3-(2-methoxyethoxy)-1-(6-methyl-3-pyridinyl)propyl]hydrazine
CID 102929761
2-(furan-2-yl)-1-(6-methyl-3-pyridinyl)ethanol
CID 104823068

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol?
The IUPAC name of 4-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol (CID 105096922) is 4-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol.
What is the SMILES notation for 4-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol?
The canonical SMILES for 4-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol is COCC(C)CC(O)c1ccc(C)nc1.
What is the InChIKey of 4-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol?
The InChIKey is JXDGVJKMCQFMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-9(8-15-3)6-12(14)11-5-4-10(2)13-7-11/h4-5,7,9,12,14H,6,8H2,1-3H3.
What are the key properties of 4-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol?
4-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-1-(6-methyl-3-pyridinyl)butan-1-ol is sourced from PubChem (CID 105096922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).