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

C21H15NO2S — CID 137091017

IUPAC2-[6-(3-hydroxyphenyl)-4-thiophen-2-yl-2-pyridinyl]phenol
SMILESOc1cccc(-c2cc(-c3cccs3)cc(-c3ccccc3O)n2)c1
InChIInChI=1S/C21H15NO2S/c23-16-6-3-5-14(11-16)18-12-15(21-9-4-10-25-21)13-19(22-18)17-7-1-2-8-20(17)24/h1-13,23-24H
InChIKeyIMNPLJQXXSMTJE-UHFFFAOYSA-N
MW345.42 g/mol
LogP5.56
Rot. Bonds3

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

2-[6-(3-hydroxyphenyl)-4-thiophen-2-yl-2-pyridinyl]phenol (PubChem CID 137091017) has the molecular formula C21H15NO2S and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-[6-(3-hydroxyphenyl)-4-thiophen-2-yl-2-pyridinyl]phenol.

Molecular Properties

Compound Name2-[6-(3-hydroxyphenyl)-4-thiophen-2-yl-2-pyridinyl]phenol
PubChem CID137091017
Molecular FormulaC21H15NO2S
Molecular Weight345.42 g/mol
Exact Mass345.08
IUPAC Name2-[6-(3-hydroxyphenyl)-4-thiophen-2-yl-2-pyridinyl]phenol
SMILESOc1cccc(-c2cc(-c3cccs3)cc(-c3ccccc3O)n2)c1
InChIInChI=1S/C21H15NO2S/c23-16-6-3-5-14(11-16)18-12-15(21-9-4-10-25-21)13-19(22-18)17-7-1-2-8-20(17)24/h1-13,23-24H
InChIKeyIMNPLJQXXSMTJE-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

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-hydroxyphenyl)-4-thiophen-2-yl-2-pyridinyl]phenol?
The IUPAC name of 2-[6-(3-hydroxyphenyl)-4-thiophen-2-yl-2-pyridinyl]phenol (CID 137091017) is 2-[6-(3-hydroxyphenyl)-4-thiophen-2-yl-2-pyridinyl]phenol.
What is the SMILES notation for 2-[6-(3-hydroxyphenyl)-4-thiophen-2-yl-2-pyridinyl]phenol?
The canonical SMILES for 2-[6-(3-hydroxyphenyl)-4-thiophen-2-yl-2-pyridinyl]phenol is Oc1cccc(-c2cc(-c3cccs3)cc(-c3ccccc3O)n2)c1.
What is the InChIKey of 2-[6-(3-hydroxyphenyl)-4-thiophen-2-yl-2-pyridinyl]phenol?
The InChIKey is IMNPLJQXXSMTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO2S/c23-16-6-3-5-14(11-16)18-12-15(21-9-4-10-25-21)13-19(22-18)17-7-1-2-8-20(17)24/h1-13,23-24H.
What are the key properties of 2-[6-(3-hydroxyphenyl)-4-thiophen-2-yl-2-pyridinyl]phenol?
2-[6-(3-hydroxyphenyl)-4-thiophen-2-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 2-[6-(3-hydroxyphenyl)-4-thiophen-2-yl-2-pyridinyl]phenol is sourced from PubChem (CID 137091017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).