3-(4-pyridin-2-ylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol

C18H19NO2 — CID 171957331

IUPAC3-(4-pyridin-2-ylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol
SMILESOC1(c2ccc(-c3ccccn3)cc2)CC2CCC(C1)O2
InChIInChI=1S/C18H19NO2/c20-18(11-15-8-9-16(12-18)21-15)14-6-4-13(5-7-14)17-3-1-2-10-19-17/h1-7,10,15-16,20H,8-9,11-12H2
InChIKeyFEPKTSYPFGKENG-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.28
Rot. Bonds2

About 3-(4-pyridin-2-ylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol

3-(4-pyridin-2-ylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol (PubChem CID 171957331) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-(4-pyridin-2-ylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(4-pyridin-2-ylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol
PubChem CID171957331
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name3-(4-pyridin-2-ylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol
SMILESOC1(c2ccc(-c3ccccn3)cc2)CC2CCC(C1)O2
InChIInChI=1S/C18H19NO2/c20-18(11-15-8-9-16(12-18)21-15)14-6-4-13(5-7-14)17-3-1-2-10-19-17/h1-7,10,15-16,20H,8-9,11-12H2
InChIKeyFEPKTSYPFGKENG-UHFFFAOYSA-N
XLogP3.28
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-pyridin-2-ylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyridin-2-ylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(4-pyridin-2-ylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol (CID 171957331) is 3-(4-pyridin-2-ylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(4-pyridin-2-ylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(4-pyridin-2-ylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol is OC1(c2ccc(-c3ccccn3)cc2)CC2CCC(C1)O2.
What is the InChIKey of 3-(4-pyridin-2-ylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol?
The InChIKey is FEPKTSYPFGKENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c20-18(11-15-8-9-16(12-18)21-15)14-6-4-13(5-7-14)17-3-1-2-10-19-17/h1-7,10,15-16,20H,8-9,11-12H2.
What are the key properties of 3-(4-pyridin-2-ylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol?
3-(4-pyridin-2-ylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol has a molecular weight of 281.36 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyridin-2-ylphenyl)-8-oxabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171957331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).