3-[6-(2-chlorophenyl)-4-(furan-2-yl)-2-pyridinyl]phenol

C21H14ClNO2 — CID 127033530

IUPAC3-[6-(2-chlorophenyl)-4-(furan-2-yl)-2-pyridinyl]phenol
SMILESOc1cccc(-c2cc(-c3ccco3)cc(-c3ccccc3Cl)n2)c1
InChIInChI=1S/C21H14ClNO2/c22-18-8-2-1-7-17(18)20-13-15(21-9-4-10-25-21)12-19(23-20)14-5-3-6-16(24)11-14/h1-13,24H
InChIKeyOOLWOIDYHRJDTG-UHFFFAOYSA-N
MW347.80 g/mol
LogP6.03
Rot. Bonds3

About 3-[6-(2-chlorophenyl)-4-(furan-2-yl)-2-pyridinyl]phenol

3-[6-(2-chlorophenyl)-4-(furan-2-yl)-2-pyridinyl]phenol (PubChem CID 127033530) has the molecular formula C21H14ClNO2 and a molecular weight of 347.80 g/mol. Its IUPAC name is 3-[6-(2-chlorophenyl)-4-(furan-2-yl)-2-pyridinyl]phenol.

Molecular Properties

Compound Name3-[6-(2-chlorophenyl)-4-(furan-2-yl)-2-pyridinyl]phenol
PubChem CID127033530
Molecular FormulaC21H14ClNO2
Molecular Weight347.80 g/mol
Exact Mass347.07
IUPAC Name3-[6-(2-chlorophenyl)-4-(furan-2-yl)-2-pyridinyl]phenol
SMILESOc1cccc(-c2cc(-c3ccco3)cc(-c3ccccc3Cl)n2)c1
InChIInChI=1S/C21H14ClNO2/c22-18-8-2-1-7-17(18)20-13-15(21-9-4-10-25-21)12-19(23-20)14-5-3-6-16(24)11-14/h1-13,24H
InChIKeyOOLWOIDYHRJDTG-UHFFFAOYSA-N
XLogP6.03
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.80
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[6-(2-chlorophenyl)-4-(furan-2-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 3-[6-(2-chlorophenyl)-4-(furan-2-yl)-2-pyridinyl]phenol?
The IUPAC name of 3-[6-(2-chlorophenyl)-4-(furan-2-yl)-2-pyridinyl]phenol (CID 127033530) is 3-[6-(2-chlorophenyl)-4-(furan-2-yl)-2-pyridinyl]phenol.
What is the SMILES notation for 3-[6-(2-chlorophenyl)-4-(furan-2-yl)-2-pyridinyl]phenol?
The canonical SMILES for 3-[6-(2-chlorophenyl)-4-(furan-2-yl)-2-pyridinyl]phenol is Oc1cccc(-c2cc(-c3ccco3)cc(-c3ccccc3Cl)n2)c1.
What is the InChIKey of 3-[6-(2-chlorophenyl)-4-(furan-2-yl)-2-pyridinyl]phenol?
The InChIKey is OOLWOIDYHRJDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClNO2/c22-18-8-2-1-7-17(18)20-13-15(21-9-4-10-25-21)12-19(23-20)14-5-3-6-16(24)11-14/h1-13,24H.
What are the key properties of 3-[6-(2-chlorophenyl)-4-(furan-2-yl)-2-pyridinyl]phenol?
3-[6-(2-chlorophenyl)-4-(furan-2-yl)-2-pyridinyl]phenol has a molecular weight of 347.80 g/mol, XLogP of 6.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2-chlorophenyl)-4-(furan-2-yl)-2-pyridinyl]phenol is sourced from PubChem (CID 127033530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).