1-(oxan-4-yl)-2-pyridin-3-yloxyethanol

C12H17NO3 — CID 117238948

IUPAC1-(oxan-4-yl)-2-pyridin-3-yloxyethanol
SMILESOC(COc1cccnc1)C1CCOCC1
InChIInChI=1S/C12H17NO3/c14-12(10-3-6-15-7-4-10)9-16-11-2-1-5-13-8-11/h1-2,5,8,10,12,14H,3-4,6-7,9H2
InChIKeyQSVCXTRFHQTJBK-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.25
Rot. Bonds4

About 1-(oxan-4-yl)-2-pyridin-3-yloxyethanol

1-(oxan-4-yl)-2-pyridin-3-yloxyethanol (PubChem CID 117238948) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 1-(oxan-4-yl)-2-pyridin-3-yloxyethanol.

Molecular Properties

Compound Name1-(oxan-4-yl)-2-pyridin-3-yloxyethanol
PubChem CID117238948
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name1-(oxan-4-yl)-2-pyridin-3-yloxyethanol
SMILESOC(COc1cccnc1)C1CCOCC1
InChIInChI=1S/C12H17NO3/c14-12(10-3-6-15-7-4-10)9-16-11-2-1-5-13-8-11/h1-2,5,8,10,12,14H,3-4,6-7,9H2
InChIKeyQSVCXTRFHQTJBK-UHFFFAOYSA-N
XLogP1.25
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxan-4-yl)-2-phenoxyethanol
CID 63936275
2-pyridin-3-yloxy-1-pyrrolidin-3-ylethanol
CID 117237507
2-cyclohexyl-3-pyridin-3-yloxypropan-1-ol
CID 117246006
2-(3-methylphenoxy)-1-(oxolan-3-yl)ethanol
CID 104753502
2-(3-methoxyphenoxy)-1-(oxolan-3-yl)ethanol
CID 113449272
2-(oxan-4-yl)-3-phenoxypropan-1-ol
CID 117239178
(R)-oxan-4-yl(pyridin-3-yl)methanamine
CID 15549943
3-(2-cyclopentyl-2-hydroxyethoxy)phenol
CID 117245767
1-(oxolan-3-yl)-2-(4-propoxyphenoxy)ethanol
CID 104753632
2-(4-ethylphenoxy)-1-(oxolan-3-yl)ethanol
CID 113449273
2-pyridin-3-yloxy-1-(thian-4-yl)ethanamine
CID 117238951
N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-pyridin-3-yloxyacetamide
CID 128994165

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-2-pyridin-3-yloxyethanol?
The IUPAC name of 1-(oxan-4-yl)-2-pyridin-3-yloxyethanol (CID 117238948) is 1-(oxan-4-yl)-2-pyridin-3-yloxyethanol.
What is the SMILES notation for 1-(oxan-4-yl)-2-pyridin-3-yloxyethanol?
The canonical SMILES for 1-(oxan-4-yl)-2-pyridin-3-yloxyethanol is OC(COc1cccnc1)C1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)-2-pyridin-3-yloxyethanol?
The InChIKey is QSVCXTRFHQTJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c14-12(10-3-6-15-7-4-10)9-16-11-2-1-5-13-8-11/h1-2,5,8,10,12,14H,3-4,6-7,9H2.
What are the key properties of 1-(oxan-4-yl)-2-pyridin-3-yloxyethanol?
1-(oxan-4-yl)-2-pyridin-3-yloxyethanol has a molecular weight of 223.27 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-2-pyridin-3-yloxyethanol is sourced from PubChem (CID 117238948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).