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

C24H27NO — CID 54033402

IUPAC2-butyl-5-[2-[4-(4-methoxyphenyl)phenyl]ethyl]pyridine
SMILESCCCCc1ccc(CCc2ccc(-c3ccc(OC)cc3)cc2)cn1
InChIInChI=1S/C24H27NO/c1-3-4-5-23-15-10-20(18-25-23)7-6-19-8-11-21(12-9-19)22-13-16-24(26-2)17-14-22/h8-18H,3-7H2,1-2H3
InChIKeyLHFLTJCSDHGIIL-UHFFFAOYSA-N
MW345.49 g/mol
LogP5.89
Rot. Bonds8

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

2-butyl-5-[2-[4-(4-methoxyphenyl)phenyl]ethyl]pyridine (PubChem CID 54033402) has the molecular formula C24H27NO and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-butyl-5-[2-[4-(4-methoxyphenyl)phenyl]ethyl]pyridine.

Molecular Properties

Compound Name2-butyl-5-[2-[4-(4-methoxyphenyl)phenyl]ethyl]pyridine
PubChem CID54033402
Molecular FormulaC24H27NO
Molecular Weight345.49 g/mol
Exact Mass345.21
IUPAC Name2-butyl-5-[2-[4-(4-methoxyphenyl)phenyl]ethyl]pyridine
SMILESCCCCc1ccc(CCc2ccc(-c3ccc(OC)cc3)cc2)cn1
InChIInChI=1S/C24H27NO/c1-3-4-5-23-15-10-20(18-25-23)7-6-19-8-11-21(12-9-19)22-13-16-24(26-2)17-14-22/h8-18H,3-7H2,1-2H3
InChIKeyLHFLTJCSDHGIIL-UHFFFAOYSA-N
XLogP5.89
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.49
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-butyl-5-[2-[4-(4-ethoxyphenyl)phenyl]ethyl]pyridine
CID 54513785
2-[2-[4-(4-butoxyphenyl)phenyl]ethyl]-5-pentylpyridine
CID 54177725
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
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
5-[2-(4-ethoxyphenyl)ethyl]-2-pentylpyridine
CID 54545830
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-hexoxyphenyl)ethyl]-2-propylpyridine
CID 54046063
5-heptyl-2-[2-(4-pentoxyphenyl)ethyl]pyridine
CID 54099818
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
2-(4-methoxyphenyl)-5-propylpyridine
CID 54073906
5-methoxy-2-propylpyridine
CID 129127600

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-[2-[4-(4-methoxyphenyl)phenyl]ethyl]pyridine?
The IUPAC name of 2-butyl-5-[2-[4-(4-methoxyphenyl)phenyl]ethyl]pyridine (CID 54033402) is 2-butyl-5-[2-[4-(4-methoxyphenyl)phenyl]ethyl]pyridine.
What is the SMILES notation for 2-butyl-5-[2-[4-(4-methoxyphenyl)phenyl]ethyl]pyridine?
The canonical SMILES for 2-butyl-5-[2-[4-(4-methoxyphenyl)phenyl]ethyl]pyridine is CCCCc1ccc(CCc2ccc(-c3ccc(OC)cc3)cc2)cn1.
What is the InChIKey of 2-butyl-5-[2-[4-(4-methoxyphenyl)phenyl]ethyl]pyridine?
The InChIKey is LHFLTJCSDHGIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO/c1-3-4-5-23-15-10-20(18-25-23)7-6-19-8-11-21(12-9-19)22-13-16-24(26-2)17-14-22/h8-18H,3-7H2,1-2H3.
What are the key properties of 2-butyl-5-[2-[4-(4-methoxyphenyl)phenyl]ethyl]pyridine?
2-butyl-5-[2-[4-(4-methoxyphenyl)phenyl]ethyl]pyridine has a molecular weight of 345.49 g/mol, XLogP of 5.89, 8 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-methoxyphenyl)phenyl]ethyl]pyridine is sourced from PubChem (CID 54033402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).