2-[(4-methylphenoxy)methyl]-6-[(4-methylphenyl)methyl]pyridine

C21H21NO — CID 71604703

IUPAC2-[(4-methylphenoxy)methyl]-6-[(4-methylphenyl)methyl]pyridine
SMILESCc1ccc(Cc2cccc(COc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C21H21NO/c1-16-6-10-18(11-7-16)14-19-4-3-5-20(22-19)15-23-21-12-8-17(2)9-13-21/h3-13H,14-15H2,1-2H3
InChIKeyXRNKKDKAXAGLDX-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.87
Rot. Bonds5

About 2-[(4-methylphenoxy)methyl]-6-[(4-methylphenyl)methyl]pyridine

2-[(4-methylphenoxy)methyl]-6-[(4-methylphenyl)methyl]pyridine (PubChem CID 71604703) has the molecular formula C21H21NO and a molecular weight of 303.40 g/mol. Its IUPAC name is 2-[(4-methylphenoxy)methyl]-6-[(4-methylphenyl)methyl]pyridine.

Molecular Properties

Compound Name2-[(4-methylphenoxy)methyl]-6-[(4-methylphenyl)methyl]pyridine
PubChem CID71604703
Molecular FormulaC21H21NO
Molecular Weight303.40 g/mol
Exact Mass303.16
IUPAC Name2-[(4-methylphenoxy)methyl]-6-[(4-methylphenyl)methyl]pyridine
SMILESCc1ccc(Cc2cccc(COc3ccc(C)cc3)n2)cc1
InChIInChI=1S/C21H21NO/c1-16-6-10-18(11-7-16)14-19-4-3-5-20(22-19)15-23-21-12-8-17(2)9-13-21/h3-13H,14-15H2,1-2H3
InChIKeyXRNKKDKAXAGLDX-UHFFFAOYSA-N
XLogP4.87
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenoxy)methyl]-6-[(4-methylphenyl)methyl]pyridine?
The IUPAC name of 2-[(4-methylphenoxy)methyl]-6-[(4-methylphenyl)methyl]pyridine (CID 71604703) is 2-[(4-methylphenoxy)methyl]-6-[(4-methylphenyl)methyl]pyridine.
What is the SMILES notation for 2-[(4-methylphenoxy)methyl]-6-[(4-methylphenyl)methyl]pyridine?
The canonical SMILES for 2-[(4-methylphenoxy)methyl]-6-[(4-methylphenyl)methyl]pyridine is Cc1ccc(Cc2cccc(COc3ccc(C)cc3)n2)cc1.
What is the InChIKey of 2-[(4-methylphenoxy)methyl]-6-[(4-methylphenyl)methyl]pyridine?
The InChIKey is XRNKKDKAXAGLDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/c1-16-6-10-18(11-7-16)14-19-4-3-5-20(22-19)15-23-21-12-8-17(2)9-13-21/h3-13H,14-15H2,1-2H3.
What are the key properties of 2-[(4-methylphenoxy)methyl]-6-[(4-methylphenyl)methyl]pyridine?
2-[(4-methylphenoxy)methyl]-6-[(4-methylphenyl)methyl]pyridine has a molecular weight of 303.40 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenoxy)methyl]-6-[(4-methylphenyl)methyl]pyridine is sourced from PubChem (CID 71604703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).