5-phenoxybenzene-1,3-dicarbonitrile

C14H8N2O — CID 76539682

IUPAC5-phenoxybenzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(Oc2ccccc2)c1
InChIInChI=1S/C14H8N2O/c15-9-11-6-12(10-16)8-14(7-11)17-13-4-2-1-3-5-13/h1-8H
InChIKeyOAFZHBMHLQJMIN-UHFFFAOYSA-N
MW220.23 g/mol
LogP3.22
Rot. Bonds2

About 5-phenoxybenzene-1,3-dicarbonitrile

5-phenoxybenzene-1,3-dicarbonitrile (PubChem CID 76539682) has the molecular formula C14H8N2O and a molecular weight of 220.23 g/mol. Its IUPAC name is 5-phenoxybenzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name5-phenoxybenzene-1,3-dicarbonitrile
PubChem CID76539682
Molecular FormulaC14H8N2O
Molecular Weight220.23 g/mol
Exact Mass220.06
IUPAC Name5-phenoxybenzene-1,3-dicarbonitrile
SMILESN#Cc1cc(C#N)cc(Oc2ccccc2)c1
InChIInChI=1S/C14H8N2O/c15-9-11-6-12(10-16)8-14(7-11)17-13-4-2-1-3-5-13/h1-8H
InChIKeyOAFZHBMHLQJMIN-UHFFFAOYSA-N
XLogP3.22
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-phenoxybenzene-1,3-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;3-methyl-5-phenoxybenzonitrile
CID 145044445
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
4-(3,5-diphenoxyphenoxy)benzene-1,2-dicarbonitrile
CID 15667751
4-(3-methoxyphenoxy)benzonitrile
CID 15643687
3-(3-cyano-5-methoxyphenoxy)benzoic acid
CID 103567890
3-(4-aminophenoxy)-5-phenoxyaniline
CID 686776
4,5-diphenoxybenzene-1,2-dicarbonitrile
CID 680327
4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 162501099
potassium phenoxybenzene
CID 19858586
iron;phenoxybenzene
CID 174434720
CID 159259752
CID 159259752
4-(3-cyano-5-methoxyphenoxy)benzoic acid
CID 103566581

Frequently Asked Questions

What is the IUPAC name of 5-phenoxybenzene-1,3-dicarbonitrile?
The IUPAC name of 5-phenoxybenzene-1,3-dicarbonitrile (CID 76539682) is 5-phenoxybenzene-1,3-dicarbonitrile.
What is the SMILES notation for 5-phenoxybenzene-1,3-dicarbonitrile?
The canonical SMILES for 5-phenoxybenzene-1,3-dicarbonitrile is N#Cc1cc(C#N)cc(Oc2ccccc2)c1.
What is the InChIKey of 5-phenoxybenzene-1,3-dicarbonitrile?
The InChIKey is OAFZHBMHLQJMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O/c15-9-11-6-12(10-16)8-14(7-11)17-13-4-2-1-3-5-13/h1-8H.
What are the key properties of 5-phenoxybenzene-1,3-dicarbonitrile?
5-phenoxybenzene-1,3-dicarbonitrile has a molecular weight of 220.23 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenoxybenzene-1,3-dicarbonitrile is sourced from PubChem (CID 76539682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).