2-(4-phenoxyphenoxy)acetonitrile

C14H11NO2 — CID 22688450

IUPAC2-(4-phenoxyphenoxy)acetonitrile
SMILESN#CCOc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H11NO2/c15-10-11-16-12-6-8-14(9-7-12)17-13-4-2-1-3-5-13/h1-9H,11H2
InChIKeyIMIQQOQWLNSBEB-UHFFFAOYSA-N
MW225.25 g/mol
LogP3.38
Rot. Bonds4

About 2-(4-phenoxyphenoxy)acetonitrile

2-(4-phenoxyphenoxy)acetonitrile (PubChem CID 22688450) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(4-phenoxyphenoxy)acetonitrile.

Molecular Properties

Compound Name2-(4-phenoxyphenoxy)acetonitrile
PubChem CID22688450
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name2-(4-phenoxyphenoxy)acetonitrile
SMILESN#CCOc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H11NO2/c15-10-11-16-12-6-8-14(9-7-12)17-13-4-2-1-3-5-13/h1-9H,11H2
InChIKeyIMIQQOQWLNSBEB-UHFFFAOYSA-N
XLogP3.38
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxyphenoxy)acetonitrile?
The IUPAC name of 2-(4-phenoxyphenoxy)acetonitrile (CID 22688450) is 2-(4-phenoxyphenoxy)acetonitrile.
What is the SMILES notation for 2-(4-phenoxyphenoxy)acetonitrile?
The canonical SMILES for 2-(4-phenoxyphenoxy)acetonitrile is N#CCOc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-(4-phenoxyphenoxy)acetonitrile?
The InChIKey is IMIQQOQWLNSBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c15-10-11-16-12-6-8-14(9-7-12)17-13-4-2-1-3-5-13/h1-9H,11H2.
What are the key properties of 2-(4-phenoxyphenoxy)acetonitrile?
2-(4-phenoxyphenoxy)acetonitrile has a molecular weight of 225.25 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxyphenoxy)acetonitrile is sourced from PubChem (CID 22688450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).