3-(2-phenylethoxy)-4-pyridin-4-ylbenzonitrile

C20H16N2O — CID 118735181

IUPAC3-(2-phenylethoxy)-4-pyridin-4-ylbenzonitrile
SMILESN#Cc1ccc(-c2ccncc2)c(OCCc2ccccc2)c1
InChIInChI=1S/C20H16N2O/c21-15-17-6-7-19(18-8-11-22-12-9-18)20(14-17)23-13-10-16-4-2-1-3-5-16/h1-9,11-12,14H,10,13H2
InChIKeyFGLQOZQIGZKPTR-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.24
Rot. Bonds5

About 3-(2-phenylethoxy)-4-pyridin-4-ylbenzonitrile

3-(2-phenylethoxy)-4-pyridin-4-ylbenzonitrile (PubChem CID 118735181) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-(2-phenylethoxy)-4-pyridin-4-ylbenzonitrile.

Molecular Properties

Compound Name3-(2-phenylethoxy)-4-pyridin-4-ylbenzonitrile
PubChem CID118735181
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name3-(2-phenylethoxy)-4-pyridin-4-ylbenzonitrile
SMILESN#Cc1ccc(-c2ccncc2)c(OCCc2ccccc2)c1
InChIInChI=1S/C20H16N2O/c21-15-17-6-7-19(18-8-11-22-12-9-18)20(14-17)23-13-10-16-4-2-1-3-5-16/h1-9,11-12,14H,10,13H2
InChIKeyFGLQOZQIGZKPTR-UHFFFAOYSA-N
XLogP4.24
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethoxy)-4-pyridin-4-ylbenzonitrile?
The IUPAC name of 3-(2-phenylethoxy)-4-pyridin-4-ylbenzonitrile (CID 118735181) is 3-(2-phenylethoxy)-4-pyridin-4-ylbenzonitrile.
What is the SMILES notation for 3-(2-phenylethoxy)-4-pyridin-4-ylbenzonitrile?
The canonical SMILES for 3-(2-phenylethoxy)-4-pyridin-4-ylbenzonitrile is N#Cc1ccc(-c2ccncc2)c(OCCc2ccccc2)c1.
What is the InChIKey of 3-(2-phenylethoxy)-4-pyridin-4-ylbenzonitrile?
The InChIKey is FGLQOZQIGZKPTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c21-15-17-6-7-19(18-8-11-22-12-9-18)20(14-17)23-13-10-16-4-2-1-3-5-16/h1-9,11-12,14H,10,13H2.
What are the key properties of 3-(2-phenylethoxy)-4-pyridin-4-ylbenzonitrile?
3-(2-phenylethoxy)-4-pyridin-4-ylbenzonitrile has a molecular weight of 300.36 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethoxy)-4-pyridin-4-ylbenzonitrile is sourced from PubChem (CID 118735181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).