3-[4-methoxy-2-(2-phenylethoxy)phenyl]pyridine

C20H19NO2 — CID 118735176

IUPAC3-[4-methoxy-2-(2-phenylethoxy)phenyl]pyridine
SMILESCOc1ccc(-c2cccnc2)c(OCCc2ccccc2)c1
InChIInChI=1S/C20H19NO2/c1-22-18-9-10-19(17-8-5-12-21-15-17)20(14-18)23-13-11-16-6-3-2-4-7-16/h2-10,12,14-15H,11,13H2,1H3
InChIKeyZGADYBFBSDJLHH-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.38
Rot. Bonds6

About 3-[4-methoxy-2-(2-phenylethoxy)phenyl]pyridine

3-[4-methoxy-2-(2-phenylethoxy)phenyl]pyridine (PubChem CID 118735176) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-[4-methoxy-2-(2-phenylethoxy)phenyl]pyridine.

Molecular Properties

Compound Name3-[4-methoxy-2-(2-phenylethoxy)phenyl]pyridine
PubChem CID118735176
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name3-[4-methoxy-2-(2-phenylethoxy)phenyl]pyridine
SMILESCOc1ccc(-c2cccnc2)c(OCCc2ccccc2)c1
InChIInChI=1S/C20H19NO2/c1-22-18-9-10-19(17-8-5-12-21-15-17)20(14-18)23-13-11-16-6-3-2-4-7-16/h2-10,12,14-15H,11,13H2,1H3
InChIKeyZGADYBFBSDJLHH-UHFFFAOYSA-N
XLogP4.38
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-methoxy-2-(2-phenylethoxy)phenyl]pyridine?
The IUPAC name of 3-[4-methoxy-2-(2-phenylethoxy)phenyl]pyridine (CID 118735176) is 3-[4-methoxy-2-(2-phenylethoxy)phenyl]pyridine.
What is the SMILES notation for 3-[4-methoxy-2-(2-phenylethoxy)phenyl]pyridine?
The canonical SMILES for 3-[4-methoxy-2-(2-phenylethoxy)phenyl]pyridine is COc1ccc(-c2cccnc2)c(OCCc2ccccc2)c1.
What is the InChIKey of 3-[4-methoxy-2-(2-phenylethoxy)phenyl]pyridine?
The InChIKey is ZGADYBFBSDJLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-22-18-9-10-19(17-8-5-12-21-15-17)20(14-18)23-13-11-16-6-3-2-4-7-16/h2-10,12,14-15H,11,13H2,1H3.
What are the key properties of 3-[4-methoxy-2-(2-phenylethoxy)phenyl]pyridine?
3-[4-methoxy-2-(2-phenylethoxy)phenyl]pyridine has a molecular weight of 305.38 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methoxy-2-(2-phenylethoxy)phenyl]pyridine is sourced from PubChem (CID 118735176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).