2-[4-(2-methylbutoxy)phenyl]-5-octoxypyridine

C24H35NO2 — CID 23181046

IUPAC2-[4-(2-methylbutoxy)phenyl]-5-octoxypyridine
SMILESCCCCCCCCOc1ccc(-c2ccc(OCC(C)CC)cc2)nc1
InChIInChI=1S/C24H35NO2/c1-4-6-7-8-9-10-17-26-23-15-16-24(25-18-23)21-11-13-22(14-12-21)27-19-20(3)5-2/h11-16,18,20H,4-10,17,19H2,1-3H3
InChIKeyJWAWLFAFAODQDY-UHFFFAOYSA-N
MW369.55 g/mol
LogP6.91
Rot. Bonds13

About 2-[4-(2-methylbutoxy)phenyl]-5-octoxypyridine

2-[4-(2-methylbutoxy)phenyl]-5-octoxypyridine (PubChem CID 23181046) has the molecular formula C24H35NO2 and a molecular weight of 369.55 g/mol. Its IUPAC name is 2-[4-(2-methylbutoxy)phenyl]-5-octoxypyridine.

Molecular Properties

Compound Name2-[4-(2-methylbutoxy)phenyl]-5-octoxypyridine
PubChem CID23181046
Molecular FormulaC24H35NO2
Molecular Weight369.55 g/mol
Exact Mass369.27
IUPAC Name2-[4-(2-methylbutoxy)phenyl]-5-octoxypyridine
SMILESCCCCCCCCOc1ccc(-c2ccc(OCC(C)CC)cc2)nc1
InChIInChI=1S/C24H35NO2/c1-4-6-7-8-9-10-17-26-23-15-16-24(25-18-23)21-11-13-22(14-12-21)27-19-20(3)5-2/h11-16,18,20H,4-10,17,19H2,1-3H3
InChIKeyJWAWLFAFAODQDY-UHFFFAOYSA-N
XLogP6.91
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.55
LogP ≤ 56.91
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

5-butoxy-2-[4-(2-methylbutoxy)phenyl]pyridine
CID 23180662
2-(4-decoxyphenyl)-5-(2-fluoropropoxy)pyridine
CID 139772111
5-(2-fluoropropoxy)-2-(4-octoxyphenyl)pyridine
CID 139772024
5-heptyl-2-[4-(2-methylbutoxy)phenyl]pyridine
CID 67813109
5-(2-fluoro-4-methylpentoxy)-2-(4-heptoxyphenyl)pyridine
CID 139772028
[4-(5-nonoxy-2-pyridinyl)phenyl] 2-methylbutanoate
CID 23181020
[4-(5-heptoxy-2-pyridinyl)phenyl] 2-methylbutanoate
CID 23180915
2-[4-(5-methylheptoxy)phenyl]-5-octylpyridine
CID 14401540
5-(2-fluorodecoxy)-2-(4-hexoxyphenyl)pyridine
CID 139772001
5-(2-fluorooctoxy)-2-(4-nonoxyphenyl)pyridine
CID 139772041
3-(4-dodecoxyphenyl)-6-(2-methylbutoxy)pyridazine;3-(2-methylbutoxy)-6-(4-undecoxyphenyl)pyridazine
CID 70427294
[4-(5-nonoxy-2-pyridinyl)phenyl] 6-methyloctanoate
CID 23181048

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylbutoxy)phenyl]-5-octoxypyridine?
The IUPAC name of 2-[4-(2-methylbutoxy)phenyl]-5-octoxypyridine (CID 23181046) is 2-[4-(2-methylbutoxy)phenyl]-5-octoxypyridine.
What is the SMILES notation for 2-[4-(2-methylbutoxy)phenyl]-5-octoxypyridine?
The canonical SMILES for 2-[4-(2-methylbutoxy)phenyl]-5-octoxypyridine is CCCCCCCCOc1ccc(-c2ccc(OCC(C)CC)cc2)nc1.
What is the InChIKey of 2-[4-(2-methylbutoxy)phenyl]-5-octoxypyridine?
The InChIKey is JWAWLFAFAODQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35NO2/c1-4-6-7-8-9-10-17-26-23-15-16-24(25-18-23)21-11-13-22(14-12-21)27-19-20(3)5-2/h11-16,18,20H,4-10,17,19H2,1-3H3.
What are the key properties of 2-[4-(2-methylbutoxy)phenyl]-5-octoxypyridine?
2-[4-(2-methylbutoxy)phenyl]-5-octoxypyridine has a molecular weight of 369.55 g/mol, XLogP of 6.91, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylbutoxy)phenyl]-5-octoxypyridine is sourced from PubChem (CID 23181046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).