2-[4-[2-(4-butylphenyl)ethyl]phenyl]-5-ethoxypyridine

C25H29NO — CID 19841825

IUPAC2-[4-[2-(4-butylphenyl)ethyl]phenyl]-5-ethoxypyridine
SMILESCCCCc1ccc(CCc2ccc(-c3ccc(OCC)cn3)cc2)cc1
InChIInChI=1S/C25H29NO/c1-3-5-6-20-7-9-21(10-8-20)11-12-22-13-15-23(16-14-22)25-18-17-24(19-26-25)27-4-2/h7-10,13-19H,3-6,11-12H2,1-2H3
InChIKeyUYMWZNIPKRMLGU-UHFFFAOYSA-N
MW359.51 g/mol
LogP6.28
Rot. Bonds9

About 2-[4-[2-(4-butylphenyl)ethyl]phenyl]-5-ethoxypyridine

2-[4-[2-(4-butylphenyl)ethyl]phenyl]-5-ethoxypyridine (PubChem CID 19841825) has the molecular formula C25H29NO and a molecular weight of 359.51 g/mol. Its IUPAC name is 2-[4-[2-(4-butylphenyl)ethyl]phenyl]-5-ethoxypyridine.

Molecular Properties

Compound Name2-[4-[2-(4-butylphenyl)ethyl]phenyl]-5-ethoxypyridine
PubChem CID19841825
Molecular FormulaC25H29NO
Molecular Weight359.51 g/mol
Exact Mass359.22
IUPAC Name2-[4-[2-(4-butylphenyl)ethyl]phenyl]-5-ethoxypyridine
SMILESCCCCc1ccc(CCc2ccc(-c3ccc(OCC)cn3)cc2)cc1
InChIInChI=1S/C25H29NO/c1-3-5-6-20-7-9-21(10-8-20)11-12-22-13-15-23(16-14-22)25-18-17-24(19-26-25)27-4-2/h7-10,13-19H,3-6,11-12H2,1-2H3
InChIKeyUYMWZNIPKRMLGU-UHFFFAOYSA-N
XLogP6.28
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.51
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-heptylphenyl)-5-propoxypyridine
CID 19841888
5-(5-ethoxypentoxy)-2-(4-nonylphenyl)pyridine
CID 22445574
2-(4-octylphenyl)-5-(4-pentoxybutoxy)pyridine
CID 22445600
2-[4-[2-(4-butoxyphenyl)ethyl]phenyl]-5-heptylpyridine
CID 19842054
5-(6-methoxyhexoxy)-2-(4-octylphenyl)pyridine
CID 22445595
2-(4-butylphenyl)-5-(2-fluorononoxy)pyridine
CID 139772017
2-[4-[2-(4-octoxyphenyl)ethyl]phenyl]-5-octylpyridine
CID 19841838
2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine
CID 19841822
5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine
CID 19841812
2-(4-decylphenyl)-5-(2-fluoroheptoxy)pyridine
CID 139772002
2-(4-decylphenyl)-5-(2-fluorooctoxy)pyridine
CID 139772067
5-(2-fluorohexoxy)-2-(4-undecylphenyl)pyridine
CID 139772078

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-butylphenyl)ethyl]phenyl]-5-ethoxypyridine?
The IUPAC name of 2-[4-[2-(4-butylphenyl)ethyl]phenyl]-5-ethoxypyridine (CID 19841825) is 2-[4-[2-(4-butylphenyl)ethyl]phenyl]-5-ethoxypyridine.
What is the SMILES notation for 2-[4-[2-(4-butylphenyl)ethyl]phenyl]-5-ethoxypyridine?
The canonical SMILES for 2-[4-[2-(4-butylphenyl)ethyl]phenyl]-5-ethoxypyridine is CCCCc1ccc(CCc2ccc(-c3ccc(OCC)cn3)cc2)cc1.
What is the InChIKey of 2-[4-[2-(4-butylphenyl)ethyl]phenyl]-5-ethoxypyridine?
The InChIKey is UYMWZNIPKRMLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO/c1-3-5-6-20-7-9-21(10-8-20)11-12-22-13-15-23(16-14-22)25-18-17-24(19-26-25)27-4-2/h7-10,13-19H,3-6,11-12H2,1-2H3.
What are the key properties of 2-[4-[2-(4-butylphenyl)ethyl]phenyl]-5-ethoxypyridine?
2-[4-[2-(4-butylphenyl)ethyl]phenyl]-5-ethoxypyridine has a molecular weight of 359.51 g/mol, XLogP of 6.28, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-butylphenyl)ethyl]phenyl]-5-ethoxypyridine is sourced from PubChem (CID 19841825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).