5-butyl-2-[4-[3-(2-propylcyclohexyl)propoxy]phenyl]pyridine

C27H39NO — CID 57067508

IUPAC5-butyl-2-[4-[3-(2-propylcyclohexyl)propoxy]phenyl]pyridine
SMILESCCCCc1ccc(-c2ccc(OCCCC3CCCCC3CCC)cc2)nc1
InChIInChI=1S/C27H39NO/c1-3-5-10-22-14-19-27(28-21-22)25-15-17-26(18-16-25)29-20-8-13-24-12-7-6-11-23(24)9-4-2/h14-19,21,23-24H,3-13,20H2,1-2H3
InChIKeyPNKOCXQSDJIYGG-UHFFFAOYSA-N
MW393.62 g/mol
LogP7.86
Rot. Bonds11

About 5-butyl-2-[4-[3-(2-propylcyclohexyl)propoxy]phenyl]pyridine

5-butyl-2-[4-[3-(2-propylcyclohexyl)propoxy]phenyl]pyridine (PubChem CID 57067508) has the molecular formula C27H39NO and a molecular weight of 393.62 g/mol. Its IUPAC name is 5-butyl-2-[4-[3-(2-propylcyclohexyl)propoxy]phenyl]pyridine.

Molecular Properties

Compound Name5-butyl-2-[4-[3-(2-propylcyclohexyl)propoxy]phenyl]pyridine
PubChem CID57067508
Molecular FormulaC27H39NO
Molecular Weight393.62 g/mol
Exact Mass393.30
IUPAC Name5-butyl-2-[4-[3-(2-propylcyclohexyl)propoxy]phenyl]pyridine
SMILESCCCCc1ccc(-c2ccc(OCCCC3CCCCC3CCC)cc2)nc1
InChIInChI=1S/C27H39NO/c1-3-5-10-22-14-19-27(28-21-22)25-15-17-26(18-16-25)29-20-8-13-24-12-7-6-11-23(24)9-4-2/h14-19,21,23-24H,3-13,20H2,1-2H3
InChIKeyPNKOCXQSDJIYGG-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-pentyl-2-[4-[3-(2-pentylcyclohexyl)propoxy]phenyl]pyridine
CID 57192381
5-butyl-2-[4-[3-(4-heptylcyclohexyl)propoxy]phenyl]pyridine
CID 19738977
2-[4-(7-cyclopentylheptoxy)phenyl]-5-heptylpyridine
CID 19083555
2-[4-(7-cyclopentylheptoxy)phenyl]-5-nonylpyridine
CID 19083479
2-[4-(8-cyclopentyloctoxy)phenyl]-5-octylpyridine
CID 19083523
5-butyl-2-[4-[3-(2-nonylcyclohexyl)propoxy]phenyl]pyrimidine
CID 57307453
2-[4-[3-(2-butylcyclohexyl)propoxy]phenyl]-5-decylpyrimidine
CID 57144651
2-[4-(11-cyclopropylundecoxy)phenyl]-5-octylpyridine
CID 14474661
2-[4-[3-(2-heptylcyclohexyl)propoxy]phenyl]-5-hexylpyrimidine
CID 57321967
2-[4-[3-(2-heptylcyclohexyl)propoxy]phenyl]-5-octylpyrimidine
CID 57153307
2-[4-[3-(2-decylcyclohexyl)propoxy]phenyl]-5-hexylpyrimidine
CID 57165509
2-[4-[3-(2-hexylcyclohexyl)propoxy]phenyl]-5-nonylpyrimidine
CID 57278648

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-[4-[3-(2-propylcyclohexyl)propoxy]phenyl]pyridine?
The IUPAC name of 5-butyl-2-[4-[3-(2-propylcyclohexyl)propoxy]phenyl]pyridine (CID 57067508) is 5-butyl-2-[4-[3-(2-propylcyclohexyl)propoxy]phenyl]pyridine.
What is the SMILES notation for 5-butyl-2-[4-[3-(2-propylcyclohexyl)propoxy]phenyl]pyridine?
The canonical SMILES for 5-butyl-2-[4-[3-(2-propylcyclohexyl)propoxy]phenyl]pyridine is CCCCc1ccc(-c2ccc(OCCCC3CCCCC3CCC)cc2)nc1.
What is the InChIKey of 5-butyl-2-[4-[3-(2-propylcyclohexyl)propoxy]phenyl]pyridine?
The InChIKey is PNKOCXQSDJIYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39NO/c1-3-5-10-22-14-19-27(28-21-22)25-15-17-26(18-16-25)29-20-8-13-24-12-7-6-11-23(24)9-4-2/h14-19,21,23-24H,3-13,20H2,1-2H3.
What are the key properties of 5-butyl-2-[4-[3-(2-propylcyclohexyl)propoxy]phenyl]pyridine?
5-butyl-2-[4-[3-(2-propylcyclohexyl)propoxy]phenyl]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 5-butyl-2-[4-[3-(2-propylcyclohexyl)propoxy]phenyl]pyridine is sourced from PubChem (CID 57067508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).