3-methoxy-1-pyridin-4-ylpentan-2-ol

C11H17NO2 — CID 116710698

IUPAC3-methoxy-1-pyridin-4-ylpentan-2-ol
SMILESCCC(OC)C(O)Cc1ccncc1
InChIInChI=1S/C11H17NO2/c1-3-11(14-2)10(13)8-9-4-6-12-7-5-9/h4-7,10-11,13H,3,8H2,1-2H3
InChIKeyIFMKFNVNYWETNC-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.41
Rot. Bonds5

About 3-methoxy-1-pyridin-4-ylpentan-2-ol

3-methoxy-1-pyridin-4-ylpentan-2-ol (PubChem CID 116710698) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-methoxy-1-pyridin-4-ylpentan-2-ol.

Molecular Properties

Compound Name3-methoxy-1-pyridin-4-ylpentan-2-ol
PubChem CID116710698
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-methoxy-1-pyridin-4-ylpentan-2-ol
SMILESCCC(OC)C(O)Cc1ccncc1
InChIInChI=1S/C11H17NO2/c1-3-11(14-2)10(13)8-9-4-6-12-7-5-9/h4-7,10-11,13H,3,8H2,1-2H3
InChIKeyIFMKFNVNYWETNC-UHFFFAOYSA-N
XLogP1.41
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-methoxy-1-(4-methylphenyl)pentan-2-ol
CID 116710820
1-(4-iodophenyl)-3-methoxypentan-2-ol
CID 116710944
3-propyl-1-pyridin-4-ylhexan-2-ol
CID 82995140
(2R)-1-pyridin-4-ylbutan-2-ol
CID 94470888
4-methyl-3-phenyl-1-pyridin-4-ylhexan-2-ol
CID 115814018
3-methoxy-1-(1,3-thiazol-2-yl)pentan-2-ol
CID 116710804
1-(2,6-dimethylphenyl)-3-methoxypentan-2-ol
CID 116710695
(2S)-1-pyridin-4-ylpropan-2-ol
CID 94470889
1-ethoxy-1-phenyl-3-pyridin-4-ylpropan-2-ol
CID 116757045
3-ethoxy-N-methyl-1-pyridin-4-ylpentan-2-amine
CID 116716532
3-methoxy-1-(2,4,6-trimethylphenyl)pentan-2-ol
CID 116710908
2-methoxy-N-methyl-3-pyridin-4-ylpropanamide
CID 69110755

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-pyridin-4-ylpentan-2-ol?
The IUPAC name of 3-methoxy-1-pyridin-4-ylpentan-2-ol (CID 116710698) is 3-methoxy-1-pyridin-4-ylpentan-2-ol.
What is the SMILES notation for 3-methoxy-1-pyridin-4-ylpentan-2-ol?
The canonical SMILES for 3-methoxy-1-pyridin-4-ylpentan-2-ol is CCC(OC)C(O)Cc1ccncc1.
What is the InChIKey of 3-methoxy-1-pyridin-4-ylpentan-2-ol?
The InChIKey is IFMKFNVNYWETNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-3-11(14-2)10(13)8-9-4-6-12-7-5-9/h4-7,10-11,13H,3,8H2,1-2H3.
What are the key properties of 3-methoxy-1-pyridin-4-ylpentan-2-ol?
3-methoxy-1-pyridin-4-ylpentan-2-ol has a molecular weight of 195.26 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-pyridin-4-ylpentan-2-ol is sourced from PubChem (CID 116710698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).