1-methoxy-2-(5-methyl-3-pyridinyl)butan-2-ol

C11H17NO2 — CID 115373723

IUPAC1-methoxy-2-(5-methyl-3-pyridinyl)butan-2-ol
SMILESCCC(O)(COC)c1cncc(C)c1
InChIInChI=1S/C11H17NO2/c1-4-11(13,8-14-3)10-5-9(2)6-12-7-10/h5-7,13H,4,8H2,1-3H3
InChIKeyPYHODBABDJWALK-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.63
Rot. Bonds4

About 1-methoxy-2-(5-methyl-3-pyridinyl)butan-2-ol

1-methoxy-2-(5-methyl-3-pyridinyl)butan-2-ol (PubChem CID 115373723) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-methoxy-2-(5-methyl-3-pyridinyl)butan-2-ol.

Molecular Properties

Compound Name1-methoxy-2-(5-methyl-3-pyridinyl)butan-2-ol
PubChem CID115373723
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-methoxy-2-(5-methyl-3-pyridinyl)butan-2-ol
SMILESCCC(O)(COC)c1cncc(C)c1
InChIInChI=1S/C11H17NO2/c1-4-11(13,8-14-3)10-5-9(2)6-12-7-10/h5-7,13H,4,8H2,1-3H3
InChIKeyPYHODBABDJWALK-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-methyl-3-pyridinyl)heptan-4-ol
CID 114866004
1-methoxy-2-(5-methyl-3-pyridinyl)propan-2-amine
CID 115373850
1,1,1-trifluoro-2-(5-methyl-3-pyridinyl)propan-2-ol
CID 123237942
3-methyl-5-(3-methylhexan-3-yl)pyridine
CID 126590839
(2R)-2-amino-2-(5-methyl-3-pyridinyl)propan-1-ol
CID 130987369
4-amino-2-(5-methyl-3-pyridinyl)butan-2-ol
CID 115375569
3-methyl-5-(trifluoromethyl)pyridine
CID 143745835
2-(3-fluoro-4-pyridinyl)-1-methoxybutan-2-ol
CID 104737591
CID 174996178
CID 174996178
1-methoxy-2-quinolin-7-ylbutan-2-ol
CID 81216496
di(cyclobutyl)-(5-methyl-3-pyridinyl)methanol
CID 112743475
2-(5-methyl-3-pyridinyl)-1-(propan-2-ylamino)propan-2-ol
CID 115375580

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-(5-methyl-3-pyridinyl)butan-2-ol?
The IUPAC name of 1-methoxy-2-(5-methyl-3-pyridinyl)butan-2-ol (CID 115373723) is 1-methoxy-2-(5-methyl-3-pyridinyl)butan-2-ol.
What is the SMILES notation for 1-methoxy-2-(5-methyl-3-pyridinyl)butan-2-ol?
The canonical SMILES for 1-methoxy-2-(5-methyl-3-pyridinyl)butan-2-ol is CCC(O)(COC)c1cncc(C)c1.
What is the InChIKey of 1-methoxy-2-(5-methyl-3-pyridinyl)butan-2-ol?
The InChIKey is PYHODBABDJWALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-11(13,8-14-3)10-5-9(2)6-12-7-10/h5-7,13H,4,8H2,1-3H3.
What are the key properties of 1-methoxy-2-(5-methyl-3-pyridinyl)butan-2-ol?
1-methoxy-2-(5-methyl-3-pyridinyl)butan-2-ol has a molecular weight of 195.26 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-(5-methyl-3-pyridinyl)butan-2-ol is sourced from PubChem (CID 115373723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).