3-methoxy-3-methyl-1-pyridin-3-ylbutan-2-ol

C11H17NO2 — CID 104736155

IUPAC3-methoxy-3-methyl-1-pyridin-3-ylbutan-2-ol
SMILESCOC(C)(C)C(O)Cc1cccnc1
InChIInChI=1S/C11H17NO2/c1-11(2,14-3)10(13)7-9-5-4-6-12-8-9/h4-6,8,10,13H,7H2,1-3H3
InChIKeyONDCWEJCPCQADZ-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.41
Rot. Bonds4

About 3-methoxy-3-methyl-1-pyridin-3-ylbutan-2-ol

3-methoxy-3-methyl-1-pyridin-3-ylbutan-2-ol (PubChem CID 104736155) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-methoxy-3-methyl-1-pyridin-3-ylbutan-2-ol.

Molecular Properties

Compound Name3-methoxy-3-methyl-1-pyridin-3-ylbutan-2-ol
PubChem CID104736155
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-methoxy-3-methyl-1-pyridin-3-ylbutan-2-ol
SMILESCOC(C)(C)C(O)Cc1cccnc1
InChIInChI=1S/C11H17NO2/c1-11(2,14-3)10(13)7-9-5-4-6-12-8-9/h4-6,8,10,13H,7H2,1-3H3
InChIKeyONDCWEJCPCQADZ-UHFFFAOYSA-N
XLogP1.41
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(diethylamino)-3-methyl-1-pyridin-3-ylbutan-2-ol
CID 113446917
3-(2,2-dimethoxyethyl)pyridine
CID 118705230
1-chloro-1,1-difluoro-3-pyridin-3-ylpropan-2-ol
CID 104736200
1-amino-3-pyridin-3-ylpropan-2-ol
CID 56924494
1-(5-methyl-2-pyridinyl)-2-pyridin-3-ylethanol
CID 104735798
3-ethyl-1-pyridin-3-yl-3-pyrrolidin-1-ylpentan-2-ol
CID 104736143
1-pyridin-3-ylpentan-2-ol
CID 62553061
1,1-dimethoxy-2-methyl-3-pyridin-3-ylpropan-2-ol
CID 104735758
3-(2,2-dimethylpropyl)pyridine;methane
CID 160666805
1-(dimethylamino)-3-pyridin-3-ylpropan-2-ol
CID 104736153
1-(3,4-dimethylphenyl)-3-methoxy-3-methylbutan-2-ol
CID 79197168
4-propan-2-yloxy-1-pyridin-3-ylbutan-2-ol
CID 114998518

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-1-pyridin-3-ylbutan-2-ol?
The IUPAC name of 3-methoxy-3-methyl-1-pyridin-3-ylbutan-2-ol (CID 104736155) is 3-methoxy-3-methyl-1-pyridin-3-ylbutan-2-ol.
What is the SMILES notation for 3-methoxy-3-methyl-1-pyridin-3-ylbutan-2-ol?
The canonical SMILES for 3-methoxy-3-methyl-1-pyridin-3-ylbutan-2-ol is COC(C)(C)C(O)Cc1cccnc1.
What is the InChIKey of 3-methoxy-3-methyl-1-pyridin-3-ylbutan-2-ol?
The InChIKey is ONDCWEJCPCQADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-11(2,14-3)10(13)7-9-5-4-6-12-8-9/h4-6,8,10,13H,7H2,1-3H3.
What are the key properties of 3-methoxy-3-methyl-1-pyridin-3-ylbutan-2-ol?
3-methoxy-3-methyl-1-pyridin-3-ylbutan-2-ol has a molecular weight of 195.26 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-1-pyridin-3-ylbutan-2-ol is sourced from PubChem (CID 104736155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).