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

C21H15NO2S — CID 137091019

IUPAC3-[6-(4-hydroxyphenyl)-4-thiophen-2-yl-2-pyridinyl]phenol
SMILESOc1ccc(-c2cc(-c3cccs3)cc(-c3cccc(O)c3)n2)cc1
InChIInChI=1S/C21H15NO2S/c23-17-8-6-14(7-9-17)19-12-16(21-5-2-10-25-21)13-20(22-19)15-3-1-4-18(24)11-15/h1-13,23-24H
InChIKeyLRFQFLADXMSYJW-UHFFFAOYSA-N
MW345.42 g/mol
LogP5.56
Rot. Bonds3

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

3-[6-(4-hydroxyphenyl)-4-thiophen-2-yl-2-pyridinyl]phenol (PubChem CID 137091019) has the molecular formula C21H15NO2S and a molecular weight of 345.42 g/mol. Its IUPAC name is 3-[6-(4-hydroxyphenyl)-4-thiophen-2-yl-2-pyridinyl]phenol.

Molecular Properties

Compound Name3-[6-(4-hydroxyphenyl)-4-thiophen-2-yl-2-pyridinyl]phenol
PubChem CID137091019
Molecular FormulaC21H15NO2S
Molecular Weight345.42 g/mol
Exact Mass345.08
IUPAC Name3-[6-(4-hydroxyphenyl)-4-thiophen-2-yl-2-pyridinyl]phenol
SMILESOc1ccc(-c2cc(-c3cccs3)cc(-c3cccc(O)c3)n2)cc1
InChIInChI=1S/C21H15NO2S/c23-17-8-6-14(7-9-17)19-12-16(21-5-2-10-25-21)13-20(22-19)15-3-1-4-18(24)11-15/h1-13,23-24H
InChIKeyLRFQFLADXMSYJW-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 3-[6-(4-hydroxyphenyl)-4-thiophen-2-yl-2-pyridinyl]phenol?
The IUPAC name of 3-[6-(4-hydroxyphenyl)-4-thiophen-2-yl-2-pyridinyl]phenol (CID 137091019) is 3-[6-(4-hydroxyphenyl)-4-thiophen-2-yl-2-pyridinyl]phenol.
What is the SMILES notation for 3-[6-(4-hydroxyphenyl)-4-thiophen-2-yl-2-pyridinyl]phenol?
The canonical SMILES for 3-[6-(4-hydroxyphenyl)-4-thiophen-2-yl-2-pyridinyl]phenol is Oc1ccc(-c2cc(-c3cccs3)cc(-c3cccc(O)c3)n2)cc1.
What is the InChIKey of 3-[6-(4-hydroxyphenyl)-4-thiophen-2-yl-2-pyridinyl]phenol?
The InChIKey is LRFQFLADXMSYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO2S/c23-17-8-6-14(7-9-17)19-12-16(21-5-2-10-25-21)13-20(22-19)15-3-1-4-18(24)11-15/h1-13,23-24H.
What are the key properties of 3-[6-(4-hydroxyphenyl)-4-thiophen-2-yl-2-pyridinyl]phenol?
3-[6-(4-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 3-[6-(4-hydroxyphenyl)-4-thiophen-2-yl-2-pyridinyl]phenol is sourced from PubChem (CID 137091019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).