2-butyl-5-[2-[4-(4-ethoxyphenyl)phenyl]ethyl]pyridine

C25H29NO — CID 54513785

IUPAC2-butyl-5-[2-[4-(4-ethoxyphenyl)phenyl]ethyl]pyridine
SMILESCCCCc1ccc(CCc2ccc(-c3ccc(OCC)cc3)cc2)cn1
InChIInChI=1S/C25H29NO/c1-3-5-6-24-16-11-21(19-26-24)8-7-20-9-12-22(13-10-20)23-14-17-25(18-15-23)27-4-2/h9-19H,3-8H2,1-2H3
InChIKeyYKZDZMWTMFYJKQ-UHFFFAOYSA-N
MW359.51 g/mol
LogP6.28
Rot. Bonds9

About 2-butyl-5-[2-[4-(4-ethoxyphenyl)phenyl]ethyl]pyridine

2-butyl-5-[2-[4-(4-ethoxyphenyl)phenyl]ethyl]pyridine (PubChem CID 54513785) has the molecular formula C25H29NO and a molecular weight of 359.51 g/mol. Its IUPAC name is 2-butyl-5-[2-[4-(4-ethoxyphenyl)phenyl]ethyl]pyridine.

Molecular Properties

Compound Name2-butyl-5-[2-[4-(4-ethoxyphenyl)phenyl]ethyl]pyridine
PubChem CID54513785
Molecular FormulaC25H29NO
Molecular Weight359.51 g/mol
Exact Mass359.22
IUPAC Name2-butyl-5-[2-[4-(4-ethoxyphenyl)phenyl]ethyl]pyridine
SMILESCCCCc1ccc(CCc2ccc(-c3ccc(OCC)cc3)cc2)cn1
InChIInChI=1S/C25H29NO/c1-3-5-6-24-16-11-21(19-26-24)8-7-20-9-12-22(13-10-20)23-14-17-25(18-15-23)27-4-2/h9-19H,3-8H2,1-2H3
InChIKeyYKZDZMWTMFYJKQ-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

5-[2-(4-ethoxyphenyl)ethyl]-2-pentylpyridine
CID 54545830
2-[2-[4-(4-butoxyphenyl)phenyl]ethyl]-5-butylpyridine;5-butyl-2-[2-[4-(4-ethoxyphenyl)phenyl]ethyl]pyridine;5-butyl-2-[2-[4-(4-propoxyphenyl)phenyl]ethyl]pyridine
CID 161494276
2-butyl-5-[2-[4-(4-methoxyphenyl)phenyl]ethyl]pyridine
CID 54033402
2-[2-[4-(4-butoxyphenyl)phenyl]ethyl]-5-pentylpyridine
CID 54177725
5-[2-(4-heptoxyphenyl)ethyl]-2-hexylpyridine;5-[2-(4-hexoxyphenyl)ethyl]-2-hexylpyridine;2-hexyl-5-[2-(4-octoxyphenyl)ethyl]pyridine
CID 158949131
5-[2-(4-butoxyphenyl)ethyl]-2-hexylpyridine;5-[2-(4-ethoxyphenyl)ethyl]-2-hexylpyridine;2-hexyl-5-[2-(4-methoxyphenyl)ethyl]pyridine;2-hexyl-5-[2-(4-propoxyphenyl)ethyl]pyridine
CID 161275446
5-[2-(4-hexoxyphenyl)ethyl]-2-propylpyridine
CID 54046063
5-heptyl-2-[2-(4-pentoxyphenyl)ethyl]pyridine
CID 54099818
2-[4-[2-(4-butylphenyl)ethyl]phenyl]-5-ethoxypyridine
CID 19841825
2-[4-[4-[6-[4-(4-methylphenyl)phenoxy]hexoxy]phenyl]butyl]-5-pentoxypyridine
CID 59265403
2-hexyl-5-(4-pentylphenyl)pyridine
CID 86160726
2-[2-(4-butoxyphenyl)ethyl]-5-ethylpyridine;2-[2-(4-ethoxyphenyl)ethyl]-5-ethylpyridine;5-ethyl-2-[2-(4-heptoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-hexoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-methoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-nonoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-octoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-pentoxyphenyl)ethyl]pyridine;5-ethyl-2-[2-(4-propoxyphenyl)ethyl]pyridine
CID 173405194

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-[2-[4-(4-ethoxyphenyl)phenyl]ethyl]pyridine?
The IUPAC name of 2-butyl-5-[2-[4-(4-ethoxyphenyl)phenyl]ethyl]pyridine (CID 54513785) is 2-butyl-5-[2-[4-(4-ethoxyphenyl)phenyl]ethyl]pyridine.
What is the SMILES notation for 2-butyl-5-[2-[4-(4-ethoxyphenyl)phenyl]ethyl]pyridine?
The canonical SMILES for 2-butyl-5-[2-[4-(4-ethoxyphenyl)phenyl]ethyl]pyridine is CCCCc1ccc(CCc2ccc(-c3ccc(OCC)cc3)cc2)cn1.
What is the InChIKey of 2-butyl-5-[2-[4-(4-ethoxyphenyl)phenyl]ethyl]pyridine?
The InChIKey is YKZDZMWTMFYJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO/c1-3-5-6-24-16-11-21(19-26-24)8-7-20-9-12-22(13-10-20)23-14-17-25(18-15-23)27-4-2/h9-19H,3-8H2,1-2H3.
What are the key properties of 2-butyl-5-[2-[4-(4-ethoxyphenyl)phenyl]ethyl]pyridine?
2-butyl-5-[2-[4-(4-ethoxyphenyl)phenyl]ethyl]pyridine 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-butyl-5-[2-[4-(4-ethoxyphenyl)phenyl]ethyl]pyridine is sourced from PubChem (CID 54513785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).