1-(3-methoxy-4-pyridinyl)-3-(oxolan-2-yl)propan-1-ol

C13H19NO3 — CID 105066320

IUPAC1-(3-methoxy-4-pyridinyl)-3-(oxolan-2-yl)propan-1-ol
SMILESCOc1cnccc1C(O)CCC1CCCO1
InChIInChI=1S/C13H19NO3/c1-16-13-9-14-7-6-11(13)12(15)5-4-10-3-2-8-17-10/h6-7,9-10,12,15H,2-5,8H2,1H3
InChIKeyZMILYFRVLWSUKT-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.08
Rot. Bonds5

About 1-(3-methoxy-4-pyridinyl)-3-(oxolan-2-yl)propan-1-ol

1-(3-methoxy-4-pyridinyl)-3-(oxolan-2-yl)propan-1-ol (PubChem CID 105066320) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(3-methoxy-4-pyridinyl)-3-(oxolan-2-yl)propan-1-ol.

Molecular Properties

Compound Name1-(3-methoxy-4-pyridinyl)-3-(oxolan-2-yl)propan-1-ol
PubChem CID105066320
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name1-(3-methoxy-4-pyridinyl)-3-(oxolan-2-yl)propan-1-ol
SMILESCOc1cnccc1C(O)CCC1CCCO1
InChIInChI=1S/C13H19NO3/c1-16-13-9-14-7-6-11(13)12(15)5-4-10-3-2-8-17-10/h6-7,9-10,12,15H,2-5,8H2,1H3
InChIKeyZMILYFRVLWSUKT-UHFFFAOYSA-N
XLogP2.08
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-1-(3-methoxy-4-pyridinyl)propan-1-ol
CID 105066324
1-(3-fluoro-4-pyridinyl)-3-(oxan-2-yl)propan-1-ol
CID 115833989
1-(2-methoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65158286
1-(3-methoxy-4-pyridinyl)pentan-1-ol
CID 105066220
1-(4-methoxyphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65160366
1-(4-methyl-3-pyridinyl)-2-(oxolan-2-yl)ethanol
CID 66271830
1-(2,3-difluoro-4-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 107516231
1-(2-ethoxy-5-methylphenyl)-3-(oxolan-2-yl)propan-1-ol
CID 65158041
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3-(oxan-2-yl)propan-1-ol
CID 115837343
(1R)-3-(1,3-dioxan-2-yl)-1-(2-methoxyphenyl)propan-1-ol
CID 97293200
3-(oxan-2-yl)-1-pyrazin-2-ylpropan-1-ol
CID 115800210
1-(3-fluoro-4-pyridinyl)-2-(oxolan-2-yl)ethanol
CID 104737979

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-pyridinyl)-3-(oxolan-2-yl)propan-1-ol?
The IUPAC name of 1-(3-methoxy-4-pyridinyl)-3-(oxolan-2-yl)propan-1-ol (CID 105066320) is 1-(3-methoxy-4-pyridinyl)-3-(oxolan-2-yl)propan-1-ol.
What is the SMILES notation for 1-(3-methoxy-4-pyridinyl)-3-(oxolan-2-yl)propan-1-ol?
The canonical SMILES for 1-(3-methoxy-4-pyridinyl)-3-(oxolan-2-yl)propan-1-ol is COc1cnccc1C(O)CCC1CCCO1.
What is the InChIKey of 1-(3-methoxy-4-pyridinyl)-3-(oxolan-2-yl)propan-1-ol?
The InChIKey is ZMILYFRVLWSUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-16-13-9-14-7-6-11(13)12(15)5-4-10-3-2-8-17-10/h6-7,9-10,12,15H,2-5,8H2,1H3.
What are the key properties of 1-(3-methoxy-4-pyridinyl)-3-(oxolan-2-yl)propan-1-ol?
1-(3-methoxy-4-pyridinyl)-3-(oxolan-2-yl)propan-1-ol has a molecular weight of 237.30 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-pyridinyl)-3-(oxolan-2-yl)propan-1-ol is sourced from PubChem (CID 105066320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).