4-(4-phenyl-6-thiophen-3-yl-2-pyridinyl)phenol

C21H15NOS — CID 135981240

IUPAC4-(4-phenyl-6-thiophen-3-yl-2-pyridinyl)phenol
SMILESOc1ccc(-c2cc(-c3ccccc3)cc(-c3ccsc3)n2)cc1
InChIInChI=1S/C21H15NOS/c23-19-8-6-16(7-9-19)20-12-18(15-4-2-1-3-5-15)13-21(22-20)17-10-11-24-14-17/h1-14,23H
InChIKeyHOJLLKKSUANJJF-UHFFFAOYSA-N
MW329.42 g/mol
LogP5.85
Rot. Bonds3

About 4-(4-phenyl-6-thiophen-3-yl-2-pyridinyl)phenol

4-(4-phenyl-6-thiophen-3-yl-2-pyridinyl)phenol (PubChem CID 135981240) has the molecular formula C21H15NOS and a molecular weight of 329.42 g/mol. Its IUPAC name is 4-(4-phenyl-6-thiophen-3-yl-2-pyridinyl)phenol.

Molecular Properties

Compound Name4-(4-phenyl-6-thiophen-3-yl-2-pyridinyl)phenol
PubChem CID135981240
Molecular FormulaC21H15NOS
Molecular Weight329.42 g/mol
Exact Mass329.09
IUPAC Name4-(4-phenyl-6-thiophen-3-yl-2-pyridinyl)phenol
SMILESOc1ccc(-c2cc(-c3ccccc3)cc(-c3ccsc3)n2)cc1
InChIInChI=1S/C21H15NOS/c23-19-8-6-16(7-9-19)20-12-18(15-4-2-1-3-5-15)13-21(22-20)17-10-11-24-14-17/h1-14,23H
InChIKeyHOJLLKKSUANJJF-UHFFFAOYSA-N
XLogP5.85
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.42
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenyl-6-thiophen-3-yl-2-pyridinyl)phenol?
The IUPAC name of 4-(4-phenyl-6-thiophen-3-yl-2-pyridinyl)phenol (CID 135981240) is 4-(4-phenyl-6-thiophen-3-yl-2-pyridinyl)phenol.
What is the SMILES notation for 4-(4-phenyl-6-thiophen-3-yl-2-pyridinyl)phenol?
The canonical SMILES for 4-(4-phenyl-6-thiophen-3-yl-2-pyridinyl)phenol is Oc1ccc(-c2cc(-c3ccccc3)cc(-c3ccsc3)n2)cc1.
What is the InChIKey of 4-(4-phenyl-6-thiophen-3-yl-2-pyridinyl)phenol?
The InChIKey is HOJLLKKSUANJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NOS/c23-19-8-6-16(7-9-19)20-12-18(15-4-2-1-3-5-15)13-21(22-20)17-10-11-24-14-17/h1-14,23H.
What are the key properties of 4-(4-phenyl-6-thiophen-3-yl-2-pyridinyl)phenol?
4-(4-phenyl-6-thiophen-3-yl-2-pyridinyl)phenol has a molecular weight of 329.42 g/mol, XLogP of 5.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenyl-6-thiophen-3-yl-2-pyridinyl)phenol is sourced from PubChem (CID 135981240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).