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

C21H15NOS — CID 46887242

IUPAC3-(2-phenyl-6-thiophen-2-yl-4-pyridinyl)phenol
SMILESOc1cccc(-c2cc(-c3ccccc3)nc(-c3cccs3)c2)c1
InChIInChI=1S/C21H15NOS/c23-18-9-4-8-16(12-18)17-13-19(15-6-2-1-3-7-15)22-20(14-17)21-10-5-11-24-21/h1-14,23H
InChIKeyVNKCREXUIZRWPF-UHFFFAOYSA-N
MW329.42 g/mol
LogP5.85
Rot. Bonds3

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

3-(2-phenyl-6-thiophen-2-yl-4-pyridinyl)phenol (PubChem CID 46887242) has the molecular formula C21H15NOS and a molecular weight of 329.42 g/mol. Its IUPAC name is 3-(2-phenyl-6-thiophen-2-yl-4-pyridinyl)phenol.

Molecular Properties

Compound Name3-(2-phenyl-6-thiophen-2-yl-4-pyridinyl)phenol
PubChem CID46887242
Molecular FormulaC21H15NOS
Molecular Weight329.42 g/mol
Exact Mass329.09
IUPAC Name3-(2-phenyl-6-thiophen-2-yl-4-pyridinyl)phenol
SMILESOc1cccc(-c2cc(-c3ccccc3)nc(-c3cccs3)c2)c1
InChIInChI=1S/C21H15NOS/c23-18-9-4-8-16(12-18)17-13-19(15-6-2-1-3-7-15)22-20(14-17)21-10-5-11-24-21/h1-14,23H
InChIKeyVNKCREXUIZRWPF-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-(2-phenyl-6-thiophen-2-yl-4-pyridinyl)phenol?
The IUPAC name of 3-(2-phenyl-6-thiophen-2-yl-4-pyridinyl)phenol (CID 46887242) is 3-(2-phenyl-6-thiophen-2-yl-4-pyridinyl)phenol.
What is the SMILES notation for 3-(2-phenyl-6-thiophen-2-yl-4-pyridinyl)phenol?
The canonical SMILES for 3-(2-phenyl-6-thiophen-2-yl-4-pyridinyl)phenol is Oc1cccc(-c2cc(-c3ccccc3)nc(-c3cccs3)c2)c1.
What is the InChIKey of 3-(2-phenyl-6-thiophen-2-yl-4-pyridinyl)phenol?
The InChIKey is VNKCREXUIZRWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15NOS/c23-18-9-4-8-16(12-18)17-13-19(15-6-2-1-3-7-15)22-20(14-17)21-10-5-11-24-21/h1-14,23H.
What are the key properties of 3-(2-phenyl-6-thiophen-2-yl-4-pyridinyl)phenol?
3-(2-phenyl-6-thiophen-2-yl-4-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-(2-phenyl-6-thiophen-2-yl-4-pyridinyl)phenol is sourced from PubChem (CID 46887242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).