3-(2-methylphenyl)-4-(2-phenylethoxy)pyridine

C20H19NO — CID 141329320

IUPAC3-(2-methylphenyl)-4-(2-phenylethoxy)pyridine
SMILESCc1ccccc1-c1cnccc1OCCc1ccccc1
InChIInChI=1S/C20H19NO/c1-16-7-5-6-10-18(16)19-15-21-13-11-20(19)22-14-12-17-8-3-2-4-9-17/h2-11,13,15H,12,14H2,1H3
InChIKeyQXYUXOLEONIWIU-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.68
Rot. Bonds5

About 3-(2-methylphenyl)-4-(2-phenylethoxy)pyridine

3-(2-methylphenyl)-4-(2-phenylethoxy)pyridine (PubChem CID 141329320) has the molecular formula C20H19NO and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-(2-methylphenyl)-4-(2-phenylethoxy)pyridine.

Molecular Properties

Compound Name3-(2-methylphenyl)-4-(2-phenylethoxy)pyridine
PubChem CID141329320
Molecular FormulaC20H19NO
Molecular Weight289.38 g/mol
Exact Mass289.15
IUPAC Name3-(2-methylphenyl)-4-(2-phenylethoxy)pyridine
SMILESCc1ccccc1-c1cnccc1OCCc1ccccc1
InChIInChI=1S/C20H19NO/c1-16-7-5-6-10-18(16)19-15-21-13-11-20(19)22-14-12-17-8-3-2-4-9-17/h2-11,13,15H,12,14H2,1H3
InChIKeyQXYUXOLEONIWIU-UHFFFAOYSA-N
XLogP4.68
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-4-(2-phenylethoxy)pyridine?
The IUPAC name of 3-(2-methylphenyl)-4-(2-phenylethoxy)pyridine (CID 141329320) is 3-(2-methylphenyl)-4-(2-phenylethoxy)pyridine.
What is the SMILES notation for 3-(2-methylphenyl)-4-(2-phenylethoxy)pyridine?
The canonical SMILES for 3-(2-methylphenyl)-4-(2-phenylethoxy)pyridine is Cc1ccccc1-c1cnccc1OCCc1ccccc1.
What is the InChIKey of 3-(2-methylphenyl)-4-(2-phenylethoxy)pyridine?
The InChIKey is QXYUXOLEONIWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO/c1-16-7-5-6-10-18(16)19-15-21-13-11-20(19)22-14-12-17-8-3-2-4-9-17/h2-11,13,15H,12,14H2,1H3.
What are the key properties of 3-(2-methylphenyl)-4-(2-phenylethoxy)pyridine?
3-(2-methylphenyl)-4-(2-phenylethoxy)pyridine has a molecular weight of 289.38 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-4-(2-phenylethoxy)pyridine is sourced from PubChem (CID 141329320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).