4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyridine

C21H21NO2 — CID 24805442

IUPAC4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyridine
SMILESCOc1cccc(CCc2ccccc2OCc2ccncc2)c1
InChIInChI=1S/C21H21NO2/c1-23-20-7-4-5-17(15-20)9-10-19-6-2-3-8-21(19)24-16-18-11-13-22-14-12-18/h2-8,11-15H,9-10,16H2,1H3
InChIKeyKTLXHJOVDOVZBD-UHFFFAOYSA-N
MW319.40 g/mol
LogP4.45
Rot. Bonds7

About 4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyridine

4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyridine (PubChem CID 24805442) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is 4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyridine.

Molecular Properties

Compound Name4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyridine
PubChem CID24805442
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyridine
SMILESCOc1cccc(CCc2ccccc2OCc2ccncc2)c1
InChIInChI=1S/C21H21NO2/c1-23-20-7-4-5-17(15-20)9-10-19-6-2-3-8-21(19)24-16-18-11-13-22-14-12-18/h2-8,11-15H,9-10,16H2,1H3
InChIKeyKTLXHJOVDOVZBD-UHFFFAOYSA-N
XLogP4.45
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 ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyridine?
The IUPAC name of 4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyridine (CID 24805442) is 4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyridine.
What is the SMILES notation for 4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyridine?
The canonical SMILES for 4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyridine is COc1cccc(CCc2ccccc2OCc2ccncc2)c1.
What is the InChIKey of 4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyridine?
The InChIKey is KTLXHJOVDOVZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c1-23-20-7-4-5-17(15-20)9-10-19-6-2-3-8-21(19)24-16-18-11-13-22-14-12-18/h2-8,11-15H,9-10,16H2,1H3.
What are the key properties of 4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyridine?
4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyridine has a molecular weight of 319.40 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyridine is sourced from PubChem (CID 24805442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).