3-[[2-(2-phenylethyl)phenoxy]methyl]pyridine

C20H19NO — CID 11973810

IUPAC3-[[2-(2-phenylethyl)phenoxy]methyl]pyridine
SMILESc1ccc(CCc2ccccc2OCc2cccnc2)cc1
InChIInChI=1S/C20H19NO/c1-2-7-17(8-3-1)12-13-19-10-4-5-11-20(19)22-16-18-9-6-14-21-15-18/h1-11,14-15H,12-13,16H2
InChIKeyWUVSQVHZKKJEHX-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.45
Rot. Bonds6

About 3-[[2-(2-phenylethyl)phenoxy]methyl]pyridine

3-[[2-(2-phenylethyl)phenoxy]methyl]pyridine (PubChem CID 11973810) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[[2-(2-phenylethyl)phenoxy]methyl]pyridine.

Molecular Properties

Compound Name3-[[2-(2-phenylethyl)phenoxy]methyl]pyridine
PubChem CID11973810
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name3-[[2-(2-phenylethyl)phenoxy]methyl]pyridine
SMILESc1ccc(CCc2ccccc2OCc2cccnc2)cc1
InChIInChI=1S/C20H19NO/c1-2-7-17(8-3-1)12-13-19-10-4-5-11-20(19)22-16-18-9-6-14-21-15-18/h1-11,14-15H,12-13,16H2
InChIKeyWUVSQVHZKKJEHX-UHFFFAOYSA-N
XLogP4.45
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-phenylethyl)phenoxy]methyl]pyridine?
The IUPAC name of 3-[[2-(2-phenylethyl)phenoxy]methyl]pyridine (CID 11973810) is 3-[[2-(2-phenylethyl)phenoxy]methyl]pyridine.
What is the SMILES notation for 3-[[2-(2-phenylethyl)phenoxy]methyl]pyridine?
The canonical SMILES for 3-[[2-(2-phenylethyl)phenoxy]methyl]pyridine is c1ccc(CCc2ccccc2OCc2cccnc2)cc1.
What is the InChIKey of 3-[[2-(2-phenylethyl)phenoxy]methyl]pyridine?
The InChIKey is WUVSQVHZKKJEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c1-2-7-17(8-3-1)12-13-19-10-4-5-11-20(19)22-16-18-9-6-14-21-15-18/h1-11,14-15H,12-13,16H2.
What are the key properties of 3-[[2-(2-phenylethyl)phenoxy]methyl]pyridine?
3-[[2-(2-phenylethyl)phenoxy]methyl]pyridine has a molecular weight of 289.38 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-phenylethyl)phenoxy]methyl]pyridine is sourced from PubChem (CID 11973810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).