4-[4-(4-chlorophenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol

C23H16ClNO2 — CID 136661235

IUPAC4-[4-(4-chlorophenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol
SMILESOc1ccc(-c2cc(-c3ccc(Cl)cc3)cc(-c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C23H16ClNO2/c24-19-7-1-15(2-8-19)18-13-22(16-3-9-20(26)10-4-16)25-23(14-18)17-5-11-21(27)12-6-17/h1-14,26-27H
InChIKeyKRAGBIXROTXKHY-UHFFFAOYSA-N
MW373.84 g/mol
LogP6.15
Rot. Bonds3

About 4-[4-(4-chlorophenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol

4-[4-(4-chlorophenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol (PubChem CID 136661235) has the molecular formula C23H16ClNO2 and a molecular weight of 373.84 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol
PubChem CID136661235
Molecular FormulaC23H16ClNO2
Molecular Weight373.84 g/mol
Exact Mass373.09
IUPAC Name4-[4-(4-chlorophenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol
SMILESOc1ccc(-c2cc(-c3ccc(Cl)cc3)cc(-c3ccc(O)cc3)n2)cc1
InChIInChI=1S/C23H16ClNO2/c24-19-7-1-15(2-8-19)18-13-22(16-3-9-20(26)10-4-16)25-23(14-18)17-5-11-21(27)12-6-17/h1-14,26-27H
InChIKeyKRAGBIXROTXKHY-UHFFFAOYSA-N
XLogP6.15
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.84
LogP ≤ 56.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol?
The IUPAC name of 4-[4-(4-chlorophenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol (CID 136661235) is 4-[4-(4-chlorophenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol?
The canonical SMILES for 4-[4-(4-chlorophenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol is Oc1ccc(-c2cc(-c3ccc(Cl)cc3)cc(-c3ccc(O)cc3)n2)cc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol?
The InChIKey is KRAGBIXROTXKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClNO2/c24-19-7-1-15(2-8-19)18-13-22(16-3-9-20(26)10-4-16)25-23(14-18)17-5-11-21(27)12-6-17/h1-14,26-27H.
What are the key properties of 4-[4-(4-chlorophenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol?
4-[4-(4-chlorophenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol has a molecular weight of 373.84 g/mol, XLogP of 6.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-6-(4-hydroxyphenyl)-2-pyridinyl]phenol is sourced from PubChem (CID 136661235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).