5-(6-methoxyhexoxy)-2-(4-octylphenyl)pyridine

C26H39NO2 — CID 22445595

IUPAC5-(6-methoxyhexoxy)-2-(4-octylphenyl)pyridine
SMILESCCCCCCCCc1ccc(-c2ccc(OCCCCCCOC)cn2)cc1
InChIInChI=1S/C26H39NO2/c1-3-4-5-6-7-10-13-23-14-16-24(17-15-23)26-19-18-25(22-27-26)29-21-12-9-8-11-20-28-2/h14-19,22H,3-13,20-21H2,1-2H3
InChIKeyQXZOULNYMZGFLA-UHFFFAOYSA-N
MW397.60 g/mol
LogP7.24
Rot. Bonds16

About 5-(6-methoxyhexoxy)-2-(4-octylphenyl)pyridine

5-(6-methoxyhexoxy)-2-(4-octylphenyl)pyridine (PubChem CID 22445595) has the molecular formula C26H39NO2 and a molecular weight of 397.60 g/mol. Its IUPAC name is 5-(6-methoxyhexoxy)-2-(4-octylphenyl)pyridine.

Molecular Properties

Compound Name5-(6-methoxyhexoxy)-2-(4-octylphenyl)pyridine
PubChem CID22445595
Molecular FormulaC26H39NO2
Molecular Weight397.60 g/mol
Exact Mass397.30
IUPAC Name5-(6-methoxyhexoxy)-2-(4-octylphenyl)pyridine
SMILESCCCCCCCCc1ccc(-c2ccc(OCCCCCCOC)cn2)cc1
InChIInChI=1S/C26H39NO2/c1-3-4-5-6-7-10-13-23-14-16-24(17-15-23)26-19-18-25(22-27-26)29-21-12-9-8-11-20-28-2/h14-19,22H,3-13,20-21H2,1-2H3
InChIKeyQXZOULNYMZGFLA-UHFFFAOYSA-N
XLogP7.24
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.60
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(6-methoxyhexoxy)phenyl]-5-nonylpyridine
CID 22445683
2-(4-octylphenyl)-5-(4-pentoxybutoxy)pyridine
CID 22445600
2-(4-heptylphenyl)-5-propoxypyridine
CID 19841888
5-(5-ethoxypentoxy)-2-(4-nonylphenyl)pyridine
CID 22445574
5-(4-heptoxyphenyl)-2-(4-heptylphenyl)pyridine
CID 139601500
2-[4-[2-(4-octoxyphenyl)ethyl]phenyl]-5-octylpyridine
CID 19841838
5-dodecyl-2-(4-octoxyphenyl)pyridine
CID 139626618
2-[4-[2-(4-butoxyphenyl)ethyl]phenyl]-5-heptylpyridine
CID 19842054
2-[4-(5-heptyl-2-pyridinyl)phenyl]-5-(8-methoxyoctyl)pyrimidine
CID 139621555
[4-(5-hexoxy-2-pyridinyl)phenyl] 4-hexylbenzoate
CID 139624097
[4-(5-decoxy-2-pyridinyl)phenyl] 4-decylbenzoate
CID 139624208
[4-(5-decoxy-2-pyridinyl)phenyl] 4-octylbenzoate
CID 139624169

Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxyhexoxy)-2-(4-octylphenyl)pyridine?
The IUPAC name of 5-(6-methoxyhexoxy)-2-(4-octylphenyl)pyridine (CID 22445595) is 5-(6-methoxyhexoxy)-2-(4-octylphenyl)pyridine.
What is the SMILES notation for 5-(6-methoxyhexoxy)-2-(4-octylphenyl)pyridine?
The canonical SMILES for 5-(6-methoxyhexoxy)-2-(4-octylphenyl)pyridine is CCCCCCCCc1ccc(-c2ccc(OCCCCCCOC)cn2)cc1.
What is the InChIKey of 5-(6-methoxyhexoxy)-2-(4-octylphenyl)pyridine?
The InChIKey is QXZOULNYMZGFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39NO2/c1-3-4-5-6-7-10-13-23-14-16-24(17-15-23)26-19-18-25(22-27-26)29-21-12-9-8-11-20-28-2/h14-19,22H,3-13,20-21H2,1-2H3.
What are the key properties of 5-(6-methoxyhexoxy)-2-(4-octylphenyl)pyridine?
5-(6-methoxyhexoxy)-2-(4-octylphenyl)pyridine has a molecular weight of 397.60 g/mol, XLogP of 7.24, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxyhexoxy)-2-(4-octylphenyl)pyridine is sourced from PubChem (CID 22445595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).