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

C23H17NO2 — CID 46887181

IUPAC3-[6-(3-hydroxyphenyl)-4-phenyl-2-pyridinyl]phenol
SMILESOc1cccc(-c2cc(-c3ccccc3)cc(-c3cccc(O)c3)n2)c1
InChIInChI=1S/C23H17NO2/c25-20-10-4-8-17(12-20)22-14-19(16-6-2-1-3-7-16)15-23(24-22)18-9-5-11-21(26)13-18/h1-15,25-26H
InChIKeyDLUFNTXHXJNUFJ-UHFFFAOYSA-N
MW339.39 g/mol
LogP5.49
Rot. Bonds3

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

3-[6-(3-hydroxyphenyl)-4-phenyl-2-pyridinyl]phenol (PubChem CID 46887181) has the molecular formula C23H17NO2 and a molecular weight of 339.39 g/mol. Its IUPAC name is 3-[6-(3-hydroxyphenyl)-4-phenyl-2-pyridinyl]phenol.

Molecular Properties

Compound Name3-[6-(3-hydroxyphenyl)-4-phenyl-2-pyridinyl]phenol
PubChem CID46887181
Molecular FormulaC23H17NO2
Molecular Weight339.39 g/mol
Exact Mass339.13
IUPAC Name3-[6-(3-hydroxyphenyl)-4-phenyl-2-pyridinyl]phenol
SMILESOc1cccc(-c2cc(-c3ccccc3)cc(-c3cccc(O)c3)n2)c1
InChIInChI=1S/C23H17NO2/c25-20-10-4-8-17(12-20)22-14-19(16-6-2-1-3-7-16)15-23(24-22)18-9-5-11-21(26)13-18/h1-15,25-26H
InChIKeyDLUFNTXHXJNUFJ-UHFFFAOYSA-N
XLogP5.49
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.39
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(3-hydroxyphenyl)-4-phenyl-2-pyridinyl]phenol?
The IUPAC name of 3-[6-(3-hydroxyphenyl)-4-phenyl-2-pyridinyl]phenol (CID 46887181) is 3-[6-(3-hydroxyphenyl)-4-phenyl-2-pyridinyl]phenol.
What is the SMILES notation for 3-[6-(3-hydroxyphenyl)-4-phenyl-2-pyridinyl]phenol?
The canonical SMILES for 3-[6-(3-hydroxyphenyl)-4-phenyl-2-pyridinyl]phenol is Oc1cccc(-c2cc(-c3ccccc3)cc(-c3cccc(O)c3)n2)c1.
What is the InChIKey of 3-[6-(3-hydroxyphenyl)-4-phenyl-2-pyridinyl]phenol?
The InChIKey is DLUFNTXHXJNUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO2/c25-20-10-4-8-17(12-20)22-14-19(16-6-2-1-3-7-16)15-23(24-22)18-9-5-11-21(26)13-18/h1-15,25-26H.
What are the key properties of 3-[6-(3-hydroxyphenyl)-4-phenyl-2-pyridinyl]phenol?
3-[6-(3-hydroxyphenyl)-4-phenyl-2-pyridinyl]phenol has a molecular weight of 339.39 g/mol, XLogP of 5.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3-hydroxyphenyl)-4-phenyl-2-pyridinyl]phenol is sourced from PubChem (CID 46887181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).