2-(4-butoxyphenyl)-5-[2-(3-butylcyclohexyl)ethyl]pyridine

C27H39NO — CID 57162610

IUPAC2-(4-butoxyphenyl)-5-[2-(3-butylcyclohexyl)ethyl]pyridine
SMILESCCCCOc1ccc(-c2ccc(CCC3CCCC(CCCC)C3)cn2)cc1
InChIInChI=1S/C27H39NO/c1-3-5-8-22-9-7-10-23(20-22)11-12-24-13-18-27(28-21-24)25-14-16-26(17-15-25)29-19-6-4-2/h13-18,21-23H,3-12,19-20H2,1-2H3
InChIKeyYINISRAJRBJLTO-UHFFFAOYSA-N
MW393.62 g/mol
LogP7.86
Rot. Bonds11

About 2-(4-butoxyphenyl)-5-[2-(3-butylcyclohexyl)ethyl]pyridine

2-(4-butoxyphenyl)-5-[2-(3-butylcyclohexyl)ethyl]pyridine (PubChem CID 57162610) has the molecular formula C27H39NO and a molecular weight of 393.62 g/mol. Its IUPAC name is 2-(4-butoxyphenyl)-5-[2-(3-butylcyclohexyl)ethyl]pyridine.

Molecular Properties

Compound Name2-(4-butoxyphenyl)-5-[2-(3-butylcyclohexyl)ethyl]pyridine
PubChem CID57162610
Molecular FormulaC27H39NO
Molecular Weight393.62 g/mol
Exact Mass393.30
IUPAC Name2-(4-butoxyphenyl)-5-[2-(3-butylcyclohexyl)ethyl]pyridine
SMILESCCCCOc1ccc(-c2ccc(CCC3CCCC(CCCC)C3)cn2)cc1
InChIInChI=1S/C27H39NO/c1-3-5-8-22-9-7-10-23(20-22)11-12-24-13-18-27(28-21-24)25-14-16-26(17-15-25)29-19-6-4-2/h13-18,21-23H,3-12,19-20H2,1-2H3
InChIKeyYINISRAJRBJLTO-UHFFFAOYSA-N
XLogP7.86
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.62
LogP ≤ 57.86
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

5-[2-(3-butylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine
CID 57192767
5-[2-(3-butylcyclohexyl)ethyl]-2-(4-propoxyphenyl)pyridine
CID 57116786
5-butoxy-2-[4-[2-(3-butylcyclohexyl)ethyl]phenyl]pyridine
CID 57318310
2-[4-[2-(3-butylcyclohexyl)ethyl]phenyl]-5-hexoxypyridine
CID 57214361
5-butoxy-2-[4-[2-(3-propylcyclohexyl)ethyl]phenyl]pyridine
CID 57294113
5-heptoxy-2-[4-[2-(3-pentylcyclohexyl)ethyl]phenyl]pyridine
CID 57010066
2-[4-[2-(3-pentylcyclohexyl)ethyl]phenyl]-5-propoxypyridine
CID 57108551
5-[2-(4-butylcyclohexyl)ethyl]-2-(4-hexoxyphenyl)pyridine
CID 18609195
5-heptyl-2-[4-[2-(3-heptylcyclohexyl)ethyl]phenyl]pyridine
CID 57153394
5-butyl-2-[4-[2-(3-hexylcyclohexyl)ethyl]phenyl]pyridine
CID 57273291
5-[2-(4-hexylcyclohexyl)ethyl]-2-(4-pentoxyphenyl)pyridine
CID 18609207
2-(4-hexylphenyl)-5-[2-(3-pentylcyclohexyl)ethyl]pyridine
CID 57020973

Frequently Asked Questions

What is the IUPAC name of 2-(4-butoxyphenyl)-5-[2-(3-butylcyclohexyl)ethyl]pyridine?
The IUPAC name of 2-(4-butoxyphenyl)-5-[2-(3-butylcyclohexyl)ethyl]pyridine (CID 57162610) is 2-(4-butoxyphenyl)-5-[2-(3-butylcyclohexyl)ethyl]pyridine.
What is the SMILES notation for 2-(4-butoxyphenyl)-5-[2-(3-butylcyclohexyl)ethyl]pyridine?
The canonical SMILES for 2-(4-butoxyphenyl)-5-[2-(3-butylcyclohexyl)ethyl]pyridine is CCCCOc1ccc(-c2ccc(CCC3CCCC(CCCC)C3)cn2)cc1.
What is the InChIKey of 2-(4-butoxyphenyl)-5-[2-(3-butylcyclohexyl)ethyl]pyridine?
The InChIKey is YINISRAJRBJLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39NO/c1-3-5-8-22-9-7-10-23(20-22)11-12-24-13-18-27(28-21-24)25-14-16-26(17-15-25)29-19-6-4-2/h13-18,21-23H,3-12,19-20H2,1-2H3.
What are the key properties of 2-(4-butoxyphenyl)-5-[2-(3-butylcyclohexyl)ethyl]pyridine?
2-(4-butoxyphenyl)-5-[2-(3-butylcyclohexyl)ethyl]pyridine has a molecular weight of 393.62 g/mol, XLogP of 7.86, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butoxyphenyl)-5-[2-(3-butylcyclohexyl)ethyl]pyridine is sourced from PubChem (CID 57162610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).