5-[2-(4-ethoxyphenyl)ethyl]-2-pentylpyridine

C20H27NO — CID 54545830

IUPAC5-[2-(4-ethoxyphenyl)ethyl]-2-pentylpyridine
SMILESCCCCCc1ccc(CCc2ccc(OCC)cc2)cn1
InChIInChI=1S/C20H27NO/c1-3-5-6-7-19-13-10-18(16-21-19)9-8-17-11-14-20(15-12-17)22-4-2/h10-16H,3-9H2,1-2H3
InChIKeyZGLNXTNLJSCFRQ-UHFFFAOYSA-N
MW297.44 g/mol
LogP5.00
Rot. Bonds9

About 5-[2-(4-ethoxyphenyl)ethyl]-2-pentylpyridine

5-[2-(4-ethoxyphenyl)ethyl]-2-pentylpyridine (PubChem CID 54545830) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 5-[2-(4-ethoxyphenyl)ethyl]-2-pentylpyridine.

Molecular Properties

Compound Name5-[2-(4-ethoxyphenyl)ethyl]-2-pentylpyridine
PubChem CID54545830
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name5-[2-(4-ethoxyphenyl)ethyl]-2-pentylpyridine
SMILESCCCCCc1ccc(CCc2ccc(OCC)cc2)cn1
InChIInChI=1S/C20H27NO/c1-3-5-6-7-19-13-10-18(16-21-19)9-8-17-11-14-20(15-12-17)22-4-2/h10-16H,3-9H2,1-2H3
InChIKeyZGLNXTNLJSCFRQ-UHFFFAOYSA-N
XLogP5.00
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-5-[2-[4-(4-ethoxyphenyl)phenyl]ethyl]pyridine
CID 54513785
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-heptyl-2-[2-(4-pentoxyphenyl)ethyl]pyridine
CID 54099818
2-[2-[4-(4-butoxyphenyl)phenyl]ethyl]-5-pentylpyridine
CID 54177725
5-[2-(4-hexoxyphenyl)ethyl]-2-propylpyridine
CID 54046063
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-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
5-[2-(4-butoxyphenyl)ethyl]-2-fluoropyridine;5-[2-(4-ethoxyphenyl)ethyl]-2-fluoropyridine;2-fluoro-5-[2-(4-propoxyphenyl)ethyl]pyridine
CID 67924037
2-[4-[4-[6-[4-(4-methylphenyl)phenoxy]hexoxy]phenyl]butyl]-5-pentoxypyridine
CID 59265403
2-[2-(4-ethoxyphenyl)ethynyl]-5-hexylpyridine
CID 19984964

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-ethoxyphenyl)ethyl]-2-pentylpyridine?
The IUPAC name of 5-[2-(4-ethoxyphenyl)ethyl]-2-pentylpyridine (CID 54545830) is 5-[2-(4-ethoxyphenyl)ethyl]-2-pentylpyridine.
What is the SMILES notation for 5-[2-(4-ethoxyphenyl)ethyl]-2-pentylpyridine?
The canonical SMILES for 5-[2-(4-ethoxyphenyl)ethyl]-2-pentylpyridine is CCCCCc1ccc(CCc2ccc(OCC)cc2)cn1.
What is the InChIKey of 5-[2-(4-ethoxyphenyl)ethyl]-2-pentylpyridine?
The InChIKey is ZGLNXTNLJSCFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-3-5-6-7-19-13-10-18(16-21-19)9-8-17-11-14-20(15-12-17)22-4-2/h10-16H,3-9H2,1-2H3.
What are the key properties of 5-[2-(4-ethoxyphenyl)ethyl]-2-pentylpyridine?
5-[2-(4-ethoxyphenyl)ethyl]-2-pentylpyridine has a molecular weight of 297.44 g/mol, XLogP of 5.00, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-ethoxyphenyl)ethyl]-2-pentylpyridine is sourced from PubChem (CID 54545830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).