4-[6-(4-hydroxyphenyl)-4-thiophen-3-yl-2-pyridinyl]phenol

C21H15NO2S — CID 137091025

IUPAC4-[6-(4-hydroxyphenyl)-4-thiophen-3-yl-2-pyridinyl]phenol
SMILESOc1ccc(-c2cc(-c3ccsc3)cc(-c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C21H15NO2S/c23-18-5-1-14(2-6-18)20-11-17(16-9-10-25-13-16)12-21(22-20)15-3-7-19(24)8-4-15/h1-13,23-24H
InChIKeyOYHXPEMSWNQAGR-UHFFFAOYSA-N
MW345.42 g/mol
LogP5.56
Rot. Bonds3

About 4-[6-(4-hydroxyphenyl)-4-thiophen-3-yl-2-pyridinyl]phenol

4-[6-(4-hydroxyphenyl)-4-thiophen-3-yl-2-pyridinyl]phenol (PubChem CID 137091025) has the molecular formula C21H15NO2S and a molecular weight of 345.42 g/mol. Its IUPAC name is 4-[6-(4-hydroxyphenyl)-4-thiophen-3-yl-2-pyridinyl]phenol.

Molecular Properties

Compound Name4-[6-(4-hydroxyphenyl)-4-thiophen-3-yl-2-pyridinyl]phenol
PubChem CID137091025
Molecular FormulaC21H15NO2S
Molecular Weight345.42 g/mol
Exact Mass345.08
IUPAC Name4-[6-(4-hydroxyphenyl)-4-thiophen-3-yl-2-pyridinyl]phenol
SMILESOc1ccc(-c2cc(-c3ccsc3)cc(-c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C21H15NO2S/c23-18-5-1-14(2-6-18)20-11-17(16-9-10-25-13-16)12-21(22-20)15-3-7-19(24)8-4-15/h1-13,23-24H
InChIKeyOYHXPEMSWNQAGR-UHFFFAOYSA-N
XLogP5.56
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.42
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[6-(4-hydroxyphenyl)-4-thiophen-3-yl-2-pyridinyl]phenol 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 4-[6-(4-hydroxyphenyl)-4-thiophen-3-yl-2-pyridinyl]phenol?
The IUPAC name of 4-[6-(4-hydroxyphenyl)-4-thiophen-3-yl-2-pyridinyl]phenol (CID 137091025) is 4-[6-(4-hydroxyphenyl)-4-thiophen-3-yl-2-pyridinyl]phenol.
What is the SMILES notation for 4-[6-(4-hydroxyphenyl)-4-thiophen-3-yl-2-pyridinyl]phenol?
The canonical SMILES for 4-[6-(4-hydroxyphenyl)-4-thiophen-3-yl-2-pyridinyl]phenol is Oc1ccc(-c2cc(-c3ccsc3)cc(-c3ccc(O)cc3)n2)cc1.
What is the InChIKey of 4-[6-(4-hydroxyphenyl)-4-thiophen-3-yl-2-pyridinyl]phenol?
The InChIKey is OYHXPEMSWNQAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO2S/c23-18-5-1-14(2-6-18)20-11-17(16-9-10-25-13-16)12-21(22-20)15-3-7-19(24)8-4-15/h1-13,23-24H.
What are the key properties of 4-[6-(4-hydroxyphenyl)-4-thiophen-3-yl-2-pyridinyl]phenol?
4-[6-(4-hydroxyphenyl)-4-thiophen-3-yl-2-pyridinyl]phenol has a molecular weight of 345.42 g/mol, XLogP of 5.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-hydroxyphenyl)-4-thiophen-3-yl-2-pyridinyl]phenol is sourced from PubChem (CID 137091025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).