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

C21H15NO2S — CID 137091024

IUPAC3-[6-(4-hydroxyphenyl)-4-thiophen-3-yl-2-pyridinyl]phenol
SMILESOc1ccc(-c2cc(-c3ccsc3)cc(-c3cccc(O)c3)n2)cc1
InChIInChI=1S/C21H15NO2S/c23-18-6-4-14(5-7-18)20-11-17(16-8-9-25-13-16)12-21(22-20)15-2-1-3-19(24)10-15/h1-13,23-24H
InChIKeyMXUCYQXQSNPRRA-UHFFFAOYSA-N
MW345.42 g/mol
LogP5.56
Rot. Bonds3

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

3-[6-(4-hydroxyphenyl)-4-thiophen-3-yl-2-pyridinyl]phenol (PubChem CID 137091024) has the molecular formula C21H15NO2S and a molecular weight of 345.42 g/mol. Its IUPAC name is 3-[6-(4-hydroxyphenyl)-4-thiophen-3-yl-2-pyridinyl]phenol.

Molecular Properties

Compound Name3-[6-(4-hydroxyphenyl)-4-thiophen-3-yl-2-pyridinyl]phenol
PubChem CID137091024
Molecular FormulaC21H15NO2S
Molecular Weight345.42 g/mol
Exact Mass345.08
IUPAC Name3-[6-(4-hydroxyphenyl)-4-thiophen-3-yl-2-pyridinyl]phenol
SMILESOc1ccc(-c2cc(-c3ccsc3)cc(-c3cccc(O)c3)n2)cc1
InChIInChI=1S/C21H15NO2S/c23-18-6-4-14(5-7-18)20-11-17(16-8-9-25-13-16)12-21(22-20)15-2-1-3-19(24)10-15/h1-13,23-24H
InChIKeyMXUCYQXQSNPRRA-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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Related Compounds

3-[6-(5-Chloro-2-thienyl)pyridin-2-yl]phenol
CID 46887580
3-(4-thiophen-3-yl-5H-indeno[1,2-b]pyridin-2-yl)phenol
CID 73334913
3-[6-(3-Hydroxyphenyl)-4-thiophen-2-yl-2-pyridinyl]phenol
CID 122179959
3-(2-thiophen-2-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol
CID 122188411
3-[6-(3-Chlorophenyl)-4-thiophen-3-yl-2-pyridinyl]phenol
CID 127031048
3-[6-(2-Chlorophenyl)-4-thiophen-3-yl-2-pyridinyl]phenol
CID 127032918
3-[2-(4-Hydroxyphenyl)-6-phenyl-4-pyridinyl]phenol
CID 136159619
3-[6-(4-Hydroxyphenyl)-4-thiophen-2-yl-2-pyridinyl]phenol
CID 137091019
2-[2-(3-Hydroxyphenyl)-6-(4-hydroxyphenyl)-4-pyridinyl]phenol
CID 137100816
3-[4,6-Bis(4-hydroxyphenyl)-2-pyridinyl]phenol
CID 137100818
4-(2-thiophen-2-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol
CID 137133403
4-(2-thiophen-3-yl-5H-chromeno[4,3-b]pyridin-4-yl)phenol
CID 137133404

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-hydroxyphenyl)-4-thiophen-3-yl-2-pyridinyl]phenol?
The IUPAC name of 3-[6-(4-hydroxyphenyl)-4-thiophen-3-yl-2-pyridinyl]phenol (CID 137091024) is 3-[6-(4-hydroxyphenyl)-4-thiophen-3-yl-2-pyridinyl]phenol.
What is the SMILES notation for 3-[6-(4-hydroxyphenyl)-4-thiophen-3-yl-2-pyridinyl]phenol?
The canonical SMILES for 3-[6-(4-hydroxyphenyl)-4-thiophen-3-yl-2-pyridinyl]phenol is Oc1ccc(-c2cc(-c3ccsc3)cc(-c3cccc(O)c3)n2)cc1.
What is the InChIKey of 3-[6-(4-hydroxyphenyl)-4-thiophen-3-yl-2-pyridinyl]phenol?
The InChIKey is MXUCYQXQSNPRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NO2S/c23-18-6-4-14(5-7-18)20-11-17(16-8-9-25-13-16)12-21(22-20)15-2-1-3-19(24)10-15/h1-13,23-24H.
What are the key properties of 3-[6-(4-hydroxyphenyl)-4-thiophen-3-yl-2-pyridinyl]phenol?
3-[6-(4-hydroxyphenyl)-4-thiophen-3-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-3-yl-2-pyridinyl]phenol is sourced from PubChem (CID 137091024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).