2-(2-cyanophenoxy)benzonitrile

C14H8N2O — CID 13435570

IUPAC2-(2-cyanophenoxy)benzonitrile
SMILESN#Cc1ccccc1Oc1ccccc1C#N
InChIInChI=1S/C14H8N2O/c15-9-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)10-16/h1-8H
InChIKeyZZKHJIRWLISXLG-UHFFFAOYSA-N
MW220.23 g/mol
LogP3.22
Rot. Bonds2

About 2-(2-cyanophenoxy)benzonitrile

2-(2-cyanophenoxy)benzonitrile (PubChem CID 13435570) has the molecular formula C14H8N2O and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-(2-cyanophenoxy)benzonitrile.

Molecular Properties

Compound Name2-(2-cyanophenoxy)benzonitrile
PubChem CID13435570
Molecular FormulaC14H8N2O
Molecular Weight220.23 g/mol
Exact Mass220.06
IUPAC Name2-(2-cyanophenoxy)benzonitrile
SMILESN#Cc1ccccc1Oc1ccccc1C#N
InChIInChI=1S/C14H8N2O/c15-9-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)10-16/h1-8H
InChIKeyZZKHJIRWLISXLG-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

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Related Compounds

2-[2-(bromomethyl)phenoxy]benzonitrile
CID 107086481
(2-cyanophenyl) hypoiodite
CID 154315791
3-[2-(2,3-dicyanophenoxy)phenoxy]benzene-1,2-dicarbonitrile
CID 19922197
2-(2-amino-3-chlorophenoxy)benzonitrile
CID 104834949
2-(2,6-diaminophenoxy)benzonitrile
CID 163217042
2-(4-chloro-2-methylphenoxy)benzonitrile
CID 29271397
2-(5-chloro-2-iodophenoxy)benzonitrile
CID 142659292
2-(2-amino-5-methylphenoxy)benzonitrile
CID 43363961
2-(5-amino-2-methoxyphenoxy)benzonitrile
CID 43363978
2-(3-bromophenoxy)benzonitrile
CID 28602353
2-(3,4-difluorophenoxy)benzonitrile
CID 43429840
2-(cyanomethoxy)benzonitrile
CID 4156437

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanophenoxy)benzonitrile?
The IUPAC name of 2-(2-cyanophenoxy)benzonitrile (CID 13435570) is 2-(2-cyanophenoxy)benzonitrile.
What is the SMILES notation for 2-(2-cyanophenoxy)benzonitrile?
The canonical SMILES for 2-(2-cyanophenoxy)benzonitrile is N#Cc1ccccc1Oc1ccccc1C#N.
What is the InChIKey of 2-(2-cyanophenoxy)benzonitrile?
The InChIKey is ZZKHJIRWLISXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O/c15-9-11-5-1-3-7-13(11)17-14-8-4-2-6-12(14)10-16/h1-8H.
What are the key properties of 2-(2-cyanophenoxy)benzonitrile?
2-(2-cyanophenoxy)benzonitrile 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 2-(2-cyanophenoxy)benzonitrile is sourced from PubChem (CID 13435570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).