2-(2,4-dichlorophenoxy)-5-pyridin-3-ylphenol

C17H11Cl2NO2 — CID 25023970

IUPAC2-(2,4-dichlorophenoxy)-5-pyridin-3-ylphenol
SMILESOc1cc(-c2cccnc2)ccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H11Cl2NO2/c18-13-4-6-16(14(19)9-13)22-17-5-3-11(8-15(17)21)12-2-1-7-20-10-12/h1-10,21H
InChIKeyQZPFPIZULRKVFH-UHFFFAOYSA-N
MW332.19 g/mol
LogP5.55
Rot. Bonds3

About 2-(2,4-dichlorophenoxy)-5-pyridin-3-ylphenol

2-(2,4-dichlorophenoxy)-5-pyridin-3-ylphenol (PubChem CID 25023970) has the molecular formula C17H11Cl2NO2 and a molecular weight of 332.19 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-5-pyridin-3-ylphenol.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-5-pyridin-3-ylphenol
PubChem CID25023970
Molecular FormulaC17H11Cl2NO2
Molecular Weight332.19 g/mol
Exact Mass331.02
IUPAC Name2-(2,4-dichlorophenoxy)-5-pyridin-3-ylphenol
SMILESOc1cc(-c2cccnc2)ccc1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H11Cl2NO2/c18-13-4-6-16(14(19)9-13)22-17-5-3-11(8-15(17)21)12-2-1-7-20-10-12/h1-10,21H
InChIKeyQZPFPIZULRKVFH-UHFFFAOYSA-N
XLogP5.55
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.19
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-5-pyridin-3-ylphenol?
The IUPAC name of 2-(2,4-dichlorophenoxy)-5-pyridin-3-ylphenol (CID 25023970) is 2-(2,4-dichlorophenoxy)-5-pyridin-3-ylphenol.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-5-pyridin-3-ylphenol?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-5-pyridin-3-ylphenol is Oc1cc(-c2cccnc2)ccc1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-5-pyridin-3-ylphenol?
The InChIKey is QZPFPIZULRKVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2NO2/c18-13-4-6-16(14(19)9-13)22-17-5-3-11(8-15(17)21)12-2-1-7-20-10-12/h1-10,21H.
What are the key properties of 2-(2,4-dichlorophenoxy)-5-pyridin-3-ylphenol?
2-(2,4-dichlorophenoxy)-5-pyridin-3-ylphenol has a molecular weight of 332.19 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-5-pyridin-3-ylphenol is sourced from PubChem (CID 25023970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).