4-(4-phenylphenoxy)benzene-1,2-dicarbonitrile

C20H12N2O — CID 746627

IUPAC4-(4-phenylphenoxy)benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1C#N
InChIInChI=1S/C20H12N2O/c21-13-17-8-11-20(12-18(17)14-22)23-19-9-6-16(7-10-19)15-4-2-1-3-5-15/h1-12H
InChIKeyJUGQWORCLGOHDP-UHFFFAOYSA-N
MW296.33 g/mol
LogP4.89
Rot. Bonds3

About 4-(4-phenylphenoxy)benzene-1,2-dicarbonitrile

4-(4-phenylphenoxy)benzene-1,2-dicarbonitrile (PubChem CID 746627) has the molecular formula C20H12N2O and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-(4-phenylphenoxy)benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-(4-phenylphenoxy)benzene-1,2-dicarbonitrile
PubChem CID746627
Molecular FormulaC20H12N2O
Molecular Weight296.33 g/mol
Exact Mass296.09
IUPAC Name4-(4-phenylphenoxy)benzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1C#N
InChIInChI=1S/C20H12N2O/c21-13-17-8-11-20(12-18(17)14-22)23-19-9-6-16(7-10-19)15-4-2-1-3-5-15/h1-12H
InChIKeyJUGQWORCLGOHDP-UHFFFAOYSA-N
XLogP4.89
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylphenoxy)benzene-1,2-dicarbonitrile?
The IUPAC name of 4-(4-phenylphenoxy)benzene-1,2-dicarbonitrile (CID 746627) is 4-(4-phenylphenoxy)benzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-(4-phenylphenoxy)benzene-1,2-dicarbonitrile?
The canonical SMILES for 4-(4-phenylphenoxy)benzene-1,2-dicarbonitrile is N#Cc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1C#N.
What is the InChIKey of 4-(4-phenylphenoxy)benzene-1,2-dicarbonitrile?
The InChIKey is JUGQWORCLGOHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2O/c21-13-17-8-11-20(12-18(17)14-22)23-19-9-6-16(7-10-19)15-4-2-1-3-5-15/h1-12H.
What are the key properties of 4-(4-phenylphenoxy)benzene-1,2-dicarbonitrile?
4-(4-phenylphenoxy)benzene-1,2-dicarbonitrile has a molecular weight of 296.33 g/mol, XLogP of 4.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylphenoxy)benzene-1,2-dicarbonitrile is sourced from PubChem (CID 746627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).