4-[[4-[(4-methylphenyl)methoxy]phenyl]methoxymethyl]pyridine

C21H21NO2 — CID 23399976

IUPAC4-[[4-[(4-methylphenyl)methoxy]phenyl]methoxymethyl]pyridine
SMILESCc1ccc(COc2ccc(COCc3ccncc3)cc2)cc1
InChIInChI=1S/C21H21NO2/c1-17-2-4-19(5-3-17)16-24-21-8-6-18(7-9-21)14-23-15-20-10-12-22-13-11-20/h2-13H,14-16H2,1H3
InChIKeyJJOHQTGRVASWHU-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.69
Rot. Bonds7

About 4-[[4-[(4-methylphenyl)methoxy]phenyl]methoxymethyl]pyridine

4-[[4-[(4-methylphenyl)methoxy]phenyl]methoxymethyl]pyridine (PubChem CID 23399976) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 4-[[4-[(4-methylphenyl)methoxy]phenyl]methoxymethyl]pyridine.

Molecular Properties

Compound Name4-[[4-[(4-methylphenyl)methoxy]phenyl]methoxymethyl]pyridine
PubChem CID23399976
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name4-[[4-[(4-methylphenyl)methoxy]phenyl]methoxymethyl]pyridine
SMILESCc1ccc(COc2ccc(COCc3ccncc3)cc2)cc1
InChIInChI=1S/C21H21NO2/c1-17-2-4-19(5-3-17)16-24-21-8-6-18(7-9-21)14-23-15-20-10-12-22-13-11-20/h2-13H,14-16H2,1H3
InChIKeyJJOHQTGRVASWHU-UHFFFAOYSA-N
XLogP4.69
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-methylphenyl)methoxy]phenyl]methoxymethyl]pyridine?
The IUPAC name of 4-[[4-[(4-methylphenyl)methoxy]phenyl]methoxymethyl]pyridine (CID 23399976) is 4-[[4-[(4-methylphenyl)methoxy]phenyl]methoxymethyl]pyridine.
What is the SMILES notation for 4-[[4-[(4-methylphenyl)methoxy]phenyl]methoxymethyl]pyridine?
The canonical SMILES for 4-[[4-[(4-methylphenyl)methoxy]phenyl]methoxymethyl]pyridine is Cc1ccc(COc2ccc(COCc3ccncc3)cc2)cc1.
What is the InChIKey of 4-[[4-[(4-methylphenyl)methoxy]phenyl]methoxymethyl]pyridine?
The InChIKey is JJOHQTGRVASWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-17-2-4-19(5-3-17)16-24-21-8-6-18(7-9-21)14-23-15-20-10-12-22-13-11-20/h2-13H,14-16H2,1H3.
What are the key properties of 4-[[4-[(4-methylphenyl)methoxy]phenyl]methoxymethyl]pyridine?
4-[[4-[(4-methylphenyl)methoxy]phenyl]methoxymethyl]pyridine has a molecular weight of 319.40 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-methylphenyl)methoxy]phenyl]methoxymethyl]pyridine is sourced from PubChem (CID 23399976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).