2,6-bis[2-(4-methylphenyl)ethoxymethyl]pyridine

C25H29NO2 — CID 71605709

IUPAC2,6-bis[2-(4-methylphenyl)ethoxymethyl]pyridine
SMILESCc1ccc(CCOCc2cccc(COCCc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C25H29NO2/c1-20-6-10-22(11-7-20)14-16-27-18-24-4-3-5-25(26-24)19-28-17-15-23-12-8-21(2)9-13-23/h3-13H,14-19H2,1-2H3
InChIKeyCLRUUVNAEJMJIP-UHFFFAOYSA-N
MW375.51 g/mol
LogP5.22
Rot. Bonds10

About 2,6-bis[2-(4-methylphenyl)ethoxymethyl]pyridine

2,6-bis[2-(4-methylphenyl)ethoxymethyl]pyridine (PubChem CID 71605709) has the molecular formula C25H29NO2 and a molecular weight of 375.51 g/mol. Its IUPAC name is 2,6-bis[2-(4-methylphenyl)ethoxymethyl]pyridine.

Molecular Properties

Compound Name2,6-bis[2-(4-methylphenyl)ethoxymethyl]pyridine
PubChem CID71605709
Molecular FormulaC25H29NO2
Molecular Weight375.51 g/mol
Exact Mass375.22
IUPAC Name2,6-bis[2-(4-methylphenyl)ethoxymethyl]pyridine
SMILESCc1ccc(CCOCc2cccc(COCCc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C25H29NO2/c1-20-6-10-22(11-7-20)14-16-27-18-24-4-3-5-25(26-24)19-28-17-15-23-12-8-21(2)9-13-23/h3-13H,14-19H2,1-2H3
InChIKeyCLRUUVNAEJMJIP-UHFFFAOYSA-N
XLogP5.22
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.51
LogP ≤ 55.22
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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Frequently Asked Questions

What is the IUPAC name of 2,6-bis[2-(4-methylphenyl)ethoxymethyl]pyridine?
The IUPAC name of 2,6-bis[2-(4-methylphenyl)ethoxymethyl]pyridine (CID 71605709) is 2,6-bis[2-(4-methylphenyl)ethoxymethyl]pyridine.
What is the SMILES notation for 2,6-bis[2-(4-methylphenyl)ethoxymethyl]pyridine?
The canonical SMILES for 2,6-bis[2-(4-methylphenyl)ethoxymethyl]pyridine is Cc1ccc(CCOCc2cccc(COCCc3ccc(C)cc3)n2)cc1.
What is the InChIKey of 2,6-bis[2-(4-methylphenyl)ethoxymethyl]pyridine?
The InChIKey is CLRUUVNAEJMJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO2/c1-20-6-10-22(11-7-20)14-16-27-18-24-4-3-5-25(26-24)19-28-17-15-23-12-8-21(2)9-13-23/h3-13H,14-19H2,1-2H3.
What are the key properties of 2,6-bis[2-(4-methylphenyl)ethoxymethyl]pyridine?
2,6-bis[2-(4-methylphenyl)ethoxymethyl]pyridine has a molecular weight of 375.51 g/mol, XLogP of 5.22, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[2-(4-methylphenyl)ethoxymethyl]pyridine is sourced from PubChem (CID 71605709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).