2-(4-hexoxyphenyl)-5-thiophen-2-ylpyridine

C21H23NOS — CID 54312464

IUPAC2-(4-hexoxyphenyl)-5-thiophen-2-ylpyridine
SMILESCCCCCCOc1ccc(-c2ccc(-c3cccs3)cn2)cc1
InChIInChI=1S/C21H23NOS/c1-2-3-4-5-14-23-19-11-8-17(9-12-19)20-13-10-18(16-22-20)21-7-6-15-24-21/h6-13,15-16H,2-5,14H2,1H3
InChIKeySLVXTJSEAXQHFA-UHFFFAOYSA-N
MW337.49 g/mol
LogP6.44
Rot. Bonds8

About 2-(4-hexoxyphenyl)-5-thiophen-2-ylpyridine

2-(4-hexoxyphenyl)-5-thiophen-2-ylpyridine (PubChem CID 54312464) has the molecular formula C21H23NOS and a molecular weight of 337.49 g/mol. Its IUPAC name is 2-(4-hexoxyphenyl)-5-thiophen-2-ylpyridine.

Molecular Properties

Compound Name2-(4-hexoxyphenyl)-5-thiophen-2-ylpyridine
PubChem CID54312464
Molecular FormulaC21H23NOS
Molecular Weight337.49 g/mol
Exact Mass337.15
IUPAC Name2-(4-hexoxyphenyl)-5-thiophen-2-ylpyridine
SMILESCCCCCCOc1ccc(-c2ccc(-c3cccs3)cn2)cc1
InChIInChI=1S/C21H23NOS/c1-2-3-4-5-14-23-19-11-8-17(9-12-19)20-13-10-18(16-22-20)21-7-6-15-24-21/h6-13,15-16H,2-5,14H2,1H3
InChIKeySLVXTJSEAXQHFA-UHFFFAOYSA-N
XLogP6.44
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.49
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hexoxyphenyl)-5-thiophen-2-ylpyridine?
The IUPAC name of 2-(4-hexoxyphenyl)-5-thiophen-2-ylpyridine (CID 54312464) is 2-(4-hexoxyphenyl)-5-thiophen-2-ylpyridine.
What is the SMILES notation for 2-(4-hexoxyphenyl)-5-thiophen-2-ylpyridine?
The canonical SMILES for 2-(4-hexoxyphenyl)-5-thiophen-2-ylpyridine is CCCCCCOc1ccc(-c2ccc(-c3cccs3)cn2)cc1.
What is the InChIKey of 2-(4-hexoxyphenyl)-5-thiophen-2-ylpyridine?
The InChIKey is SLVXTJSEAXQHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NOS/c1-2-3-4-5-14-23-19-11-8-17(9-12-19)20-13-10-18(16-22-20)21-7-6-15-24-21/h6-13,15-16H,2-5,14H2,1H3.
What are the key properties of 2-(4-hexoxyphenyl)-5-thiophen-2-ylpyridine?
2-(4-hexoxyphenyl)-5-thiophen-2-ylpyridine has a molecular weight of 337.49 g/mol, XLogP of 6.44, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hexoxyphenyl)-5-thiophen-2-ylpyridine is sourced from PubChem (CID 54312464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).