3-[2-(2,3-dicyanophenoxy)phenoxy]benzene-1,2-dicarbonitrile

C22H10N4O2 — CID 19922197

IUPAC3-[2-(2,3-dicyanophenoxy)phenoxy]benzene-1,2-dicarbonitrile
SMILESN#Cc1cccc(Oc2ccccc2Oc2cccc(C#N)c2C#N)c1C#N
InChIInChI=1S/C22H10N4O2/c23-11-15-5-3-9-19(17(15)13-25)27-21-7-1-2-8-22(21)28-20-10-4-6-16(12-24)18(20)14-26/h1-10H
InChIKeyOLKUXRYYECYUFC-UHFFFAOYSA-N
MW362.35 g/mol
LogP4.76
Rot. Bonds4

About 3-[2-(2,3-dicyanophenoxy)phenoxy]benzene-1,2-dicarbonitrile

3-[2-(2,3-dicyanophenoxy)phenoxy]benzene-1,2-dicarbonitrile (PubChem CID 19922197) has the molecular formula C22H10N4O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is 3-[2-(2,3-dicyanophenoxy)phenoxy]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name3-[2-(2,3-dicyanophenoxy)phenoxy]benzene-1,2-dicarbonitrile
PubChem CID19922197
Molecular FormulaC22H10N4O2
Molecular Weight362.35 g/mol
Exact Mass362.08
IUPAC Name3-[2-(2,3-dicyanophenoxy)phenoxy]benzene-1,2-dicarbonitrile
SMILESN#Cc1cccc(Oc2ccccc2Oc2cccc(C#N)c2C#N)c1C#N
InChIInChI=1S/C22H10N4O2/c23-11-15-5-3-9-19(17(15)13-25)27-21-7-1-2-8-22(21)28-20-10-4-6-16(12-24)18(20)14-26/h1-10H
InChIKeyOLKUXRYYECYUFC-UHFFFAOYSA-N
XLogP4.76
TPSA113.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-phenoxyphenoxy)benzene-1,2-dicarbonitrile
CID 15667741
3-[4-(4-phenoxyphenoxy)phenoxy]benzene-1,2-dicarbonitrile
CID 19895074
2-(2-cyanophenoxy)benzonitrile
CID 13435570
3-(3,5-dimethylphenoxy)benzene-1,2-dicarbonitrile
CID 68696975
2-chloro-6-(2-chlorophenoxy)benzonitrile
CID 60701753
3-(3-fluorophenoxy)benzene-1,2-dicarbonitrile
CID 19895093
3-(2,4-ditert-butylphenoxy)benzene-1,2-dicarbonitrile
CID 57005555
3-(1,3-thiazol-2-yloxy)benzene-1,2-dicarbonitrile
CID 90715403
3-butoxybenzene-1,2-dicarbonitrile
CID 18469841
3-(1,3-oxazol-2-yloxy)benzene-1,2-dicarbonitrile
CID 90693997
3-[4-[4-(2,3-dicyanophenoxy)-2,3,5-trimethylphenyl]-2,3,6-trimethylphenoxy]benzene-1,2-dicarbonitrile
CID 175647489
3-[4-(2-hydroxyethoxy)phenoxy]benzene-1,2-dicarbonitrile
CID 141490730

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dicyanophenoxy)phenoxy]benzene-1,2-dicarbonitrile?
The IUPAC name of 3-[2-(2,3-dicyanophenoxy)phenoxy]benzene-1,2-dicarbonitrile (CID 19922197) is 3-[2-(2,3-dicyanophenoxy)phenoxy]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 3-[2-(2,3-dicyanophenoxy)phenoxy]benzene-1,2-dicarbonitrile?
The canonical SMILES for 3-[2-(2,3-dicyanophenoxy)phenoxy]benzene-1,2-dicarbonitrile is N#Cc1cccc(Oc2ccccc2Oc2cccc(C#N)c2C#N)c1C#N.
What is the InChIKey of 3-[2-(2,3-dicyanophenoxy)phenoxy]benzene-1,2-dicarbonitrile?
The InChIKey is OLKUXRYYECYUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H10N4O2/c23-11-15-5-3-9-19(17(15)13-25)27-21-7-1-2-8-22(21)28-20-10-4-6-16(12-24)18(20)14-26/h1-10H.
What are the key properties of 3-[2-(2,3-dicyanophenoxy)phenoxy]benzene-1,2-dicarbonitrile?
3-[2-(2,3-dicyanophenoxy)phenoxy]benzene-1,2-dicarbonitrile has a molecular weight of 362.35 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dicyanophenoxy)phenoxy]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 19922197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).