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

C12H19NO2 — CID 116711939

IUPAC2-methoxy-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-ol
SMILESCOC(C(C)C)C(O)c1cnccc1C
InChIInChI=1S/C12H19NO2/c1-8(2)12(15-4)11(14)10-7-13-6-5-9(10)3/h5-8,11-12,14H,1-4H3
InChIKeyMOUCHVDNIMKTSI-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.09
Rot. Bonds4

About 2-methoxy-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-ol

2-methoxy-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-ol (PubChem CID 116711939) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-methoxy-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-ol.

Molecular Properties

Compound Name2-methoxy-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-ol
PubChem CID116711939
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-methoxy-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-ol
SMILESCOC(C(C)C)C(O)c1cnccc1C
InChIInChI=1S/C12H19NO2/c1-8(2)12(15-4)11(14)10-7-13-6-5-9(10)3/h5-8,11-12,14H,1-4H3
InChIKeyMOUCHVDNIMKTSI-UHFFFAOYSA-N
XLogP2.09
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-(4-methyl-3-pyridinyl)propan-1-ol
CID 164658532
1-(2,4-dimethylphenyl)-2-methoxy-3-methylbutan-1-ol
CID 116711931
3,3-dimethyl-1-(4-methyl-3-pyridinyl)butane-1,2-diol
CID 103457204
2-methoxy-1-(4-methoxy-2-methylphenyl)-3-methylbutan-1-ol
CID 116711995
2-methoxy-2-methyl-1-(4-methyl-3-pyridinyl)propan-1-ol
CID 79197516
3-[(1R)-1-bromoethyl]-4-methylpyridine
CID 124706368
1-(4-methyl-3-pyridinyl)ethanamine
CID 64988869
2-(3-chlorophenoxy)-1-(4-methyl-3-pyridinyl)propan-1-ol
CID 105110798
3-[2-methoxy-3-methyl-1-(methylamino)butyl]pyridin-4-amine
CID 116720111
4-methyl-1-(4-methyl-3-pyridinyl)pentan-1-ol
CID 66272896
1-(4-methoxy-3-pyridinyl)propane-1,2-diol
CID 130565658
2-ethoxy-1-(3-fluoro-4-pyridinyl)-3-methylbutan-1-ol
CID 116712381

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-ol?
The IUPAC name of 2-methoxy-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-ol (CID 116711939) is 2-methoxy-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-ol.
What is the SMILES notation for 2-methoxy-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-ol?
The canonical SMILES for 2-methoxy-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-ol is COC(C(C)C)C(O)c1cnccc1C.
What is the InChIKey of 2-methoxy-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-ol?
The InChIKey is MOUCHVDNIMKTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8(2)12(15-4)11(14)10-7-13-6-5-9(10)3/h5-8,11-12,14H,1-4H3.
What are the key properties of 2-methoxy-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-ol?
2-methoxy-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-methyl-1-(4-methyl-3-pyridinyl)butan-1-ol is sourced from PubChem (CID 116711939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).