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

C21H15NOS — CID 46887132

IUPAC3-(4-phenyl-6-thiophen-3-yl-2-pyridinyl)phenol
SMILESOc1cccc(-c2cc(-c3ccccc3)cc(-c3ccsc3)n2)c1
InChIInChI=1S/C21H15NOS/c23-19-8-4-7-16(11-19)20-12-18(15-5-2-1-3-6-15)13-21(22-20)17-9-10-24-14-17/h1-14,23H
InChIKeyGZCPVCLLSOKGCF-UHFFFAOYSA-N
MW329.42 g/mol
LogP5.85
Rot. Bonds3

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

3-(4-phenyl-6-thiophen-3-yl-2-pyridinyl)phenol (PubChem CID 46887132) has the molecular formula C21H15NOS and a molecular weight of 329.42 g/mol. Its IUPAC name is 3-(4-phenyl-6-thiophen-3-yl-2-pyridinyl)phenol.

Molecular Properties

Compound Name3-(4-phenyl-6-thiophen-3-yl-2-pyridinyl)phenol
PubChem CID46887132
Molecular FormulaC21H15NOS
Molecular Weight329.42 g/mol
Exact Mass329.09
IUPAC Name3-(4-phenyl-6-thiophen-3-yl-2-pyridinyl)phenol
SMILESOc1cccc(-c2cc(-c3ccccc3)cc(-c3ccsc3)n2)c1
InChIInChI=1S/C21H15NOS/c23-19-8-4-7-16(11-19)20-12-18(15-5-2-1-3-6-15)13-21(22-20)17-9-10-24-14-17/h1-14,23H
InChIKeyGZCPVCLLSOKGCF-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 3-(4-phenyl-6-thiophen-3-yl-2-pyridinyl)phenol?
The IUPAC name of 3-(4-phenyl-6-thiophen-3-yl-2-pyridinyl)phenol (CID 46887132) is 3-(4-phenyl-6-thiophen-3-yl-2-pyridinyl)phenol.
What is the SMILES notation for 3-(4-phenyl-6-thiophen-3-yl-2-pyridinyl)phenol?
The canonical SMILES for 3-(4-phenyl-6-thiophen-3-yl-2-pyridinyl)phenol is Oc1cccc(-c2cc(-c3ccccc3)cc(-c3ccsc3)n2)c1.
What is the InChIKey of 3-(4-phenyl-6-thiophen-3-yl-2-pyridinyl)phenol?
The InChIKey is GZCPVCLLSOKGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NOS/c23-19-8-4-7-16(11-19)20-12-18(15-5-2-1-3-6-15)13-21(22-20)17-9-10-24-14-17/h1-14,23H.
What are the key properties of 3-(4-phenyl-6-thiophen-3-yl-2-pyridinyl)phenol?
3-(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 3-(4-phenyl-6-thiophen-3-yl-2-pyridinyl)phenol is sourced from PubChem (CID 46887132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).