1,3-bis(3-pyridin-2-ylphenyl)propan-2-ol

C25H22N2O — CID 59517893

IUPAC1,3-bis(3-pyridin-2-ylphenyl)propan-2-ol
SMILESOC(Cc1cccc(-c2ccccn2)c1)Cc1cccc(-c2ccccn2)c1
InChIInChI=1S/C25H22N2O/c28-23(17-19-7-5-9-21(15-19)24-11-1-3-13-26-24)18-20-8-6-10-22(16-20)25-12-2-4-14-27-25/h1-16,23,28H,17-18H2
InChIKeyOVGCSWSXJWSZDB-UHFFFAOYSA-N
MW366.46 g/mol
LogP4.96
Rot. Bonds6

About 1,3-bis(3-pyridin-2-ylphenyl)propan-2-ol

1,3-bis(3-pyridin-2-ylphenyl)propan-2-ol (PubChem CID 59517893) has the molecular formula C25H22N2O and a molecular weight of 366.46 g/mol. Its IUPAC name is 1,3-bis(3-pyridin-2-ylphenyl)propan-2-ol.

Molecular Properties

Compound Name1,3-bis(3-pyridin-2-ylphenyl)propan-2-ol
PubChem CID59517893
Molecular FormulaC25H22N2O
Molecular Weight366.46 g/mol
Exact Mass366.17
IUPAC Name1,3-bis(3-pyridin-2-ylphenyl)propan-2-ol
SMILESOC(Cc1cccc(-c2ccccn2)c1)Cc1cccc(-c2ccccn2)c1
InChIInChI=1S/C25H22N2O/c28-23(17-19-7-5-9-21(15-19)24-11-1-3-13-26-24)18-20-8-6-10-22(16-20)25-12-2-4-14-27-25/h1-16,23,28H,17-18H2
InChIKeyOVGCSWSXJWSZDB-UHFFFAOYSA-N
XLogP4.96
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,3-bis(3-pyridin-2-ylphenyl)propan-2-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 1,3-bis(3-pyridin-2-ylphenyl)propan-2-ol?
The IUPAC name of 1,3-bis(3-pyridin-2-ylphenyl)propan-2-ol (CID 59517893) is 1,3-bis(3-pyridin-2-ylphenyl)propan-2-ol.
What is the SMILES notation for 1,3-bis(3-pyridin-2-ylphenyl)propan-2-ol?
The canonical SMILES for 1,3-bis(3-pyridin-2-ylphenyl)propan-2-ol is OC(Cc1cccc(-c2ccccn2)c1)Cc1cccc(-c2ccccn2)c1.
What is the InChIKey of 1,3-bis(3-pyridin-2-ylphenyl)propan-2-ol?
The InChIKey is OVGCSWSXJWSZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O/c28-23(17-19-7-5-9-21(15-19)24-11-1-3-13-26-24)18-20-8-6-10-22(16-20)25-12-2-4-14-27-25/h1-16,23,28H,17-18H2.
What are the key properties of 1,3-bis(3-pyridin-2-ylphenyl)propan-2-ol?
1,3-bis(3-pyridin-2-ylphenyl)propan-2-ol has a molecular weight of 366.46 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(3-pyridin-2-ylphenyl)propan-2-ol is sourced from PubChem (CID 59517893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).