2-methoxy-4-pyridin-2-ylbutan-1-ol

C10H15NO2 — CID 145217411

IUPAC2-methoxy-4-pyridin-2-ylbutan-1-ol
SMILESCOC(CO)CCc1ccccn1
InChIInChI=1S/C10H15NO2/c1-13-10(8-12)6-5-9-4-2-3-7-11-9/h2-4,7,10,12H,5-6,8H2,1H3
InChIKeyVNNCNKWWCDZXIF-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.02
Rot. Bonds5

About 2-methoxy-4-pyridin-2-ylbutan-1-ol

2-methoxy-4-pyridin-2-ylbutan-1-ol (PubChem CID 145217411) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-methoxy-4-pyridin-2-ylbutan-1-ol.

Molecular Properties

Compound Name2-methoxy-4-pyridin-2-ylbutan-1-ol
PubChem CID145217411
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name2-methoxy-4-pyridin-2-ylbutan-1-ol
SMILESCOC(CO)CCc1ccccn1
InChIInChI=1S/C10H15NO2/c1-13-10(8-12)6-5-9-4-2-3-7-11-9/h2-4,7,10,12H,5-6,8H2,1H3
InChIKeyVNNCNKWWCDZXIF-UHFFFAOYSA-N
XLogP1.02
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-pyridin-2-ylbutan-2-amine
CID 22831528
trimethoxy(2-pyridin-2-ylethyl)silane
CID 158126739
2-[4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butyl]pyridine
CID 175722818
(2R)-5-pyridin-2-ylpentan-2-ol
CID 149104953
4-pyridin-2-yl-2-(2-pyridin-2-ylethyl)butanoic acid
CID 54563679
3-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]butan-1-ol
CID 115137806
2-(3-ethyl-4-methylpentyl)pyridine
CID 67454741
[[dimethyl(2-pyridin-2-ylethyl)silyl]-methoxymethyl]-trimethylsilane
CID 15864817
1-ethoxy-4-pyridin-2-ylbutan-2-amine
CID 105165178
ethane;pyridin-2-ylmethanol
CID 91461493
(1-hydroxy-8-pyridin-2-yloctan-4-yl) acetate
CID 54190402
CID 163718369
CID 163718369

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-pyridin-2-ylbutan-1-ol?
The IUPAC name of 2-methoxy-4-pyridin-2-ylbutan-1-ol (CID 145217411) is 2-methoxy-4-pyridin-2-ylbutan-1-ol.
What is the SMILES notation for 2-methoxy-4-pyridin-2-ylbutan-1-ol?
The canonical SMILES for 2-methoxy-4-pyridin-2-ylbutan-1-ol is COC(CO)CCc1ccccn1.
What is the InChIKey of 2-methoxy-4-pyridin-2-ylbutan-1-ol?
The InChIKey is VNNCNKWWCDZXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-13-10(8-12)6-5-9-4-2-3-7-11-9/h2-4,7,10,12H,5-6,8H2,1H3.
What are the key properties of 2-methoxy-4-pyridin-2-ylbutan-1-ol?
2-methoxy-4-pyridin-2-ylbutan-1-ol has a molecular weight of 181.24 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-pyridin-2-ylbutan-1-ol is sourced from PubChem (CID 145217411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).