3-(2-chlorophenoxy)benzonitrile

C13H8ClNO — CID 22148146

IUPAC3-(2-chlorophenoxy)benzonitrile
SMILESN#Cc1cccc(Oc2ccccc2Cl)c1
InChIInChI=1S/C13H8ClNO/c14-12-6-1-2-7-13(12)16-11-5-3-4-10(8-11)9-15/h1-8H
InChIKeyZRTYZTKPLUWROZ-UHFFFAOYSA-N
MW229.67 g/mol
LogP4.00
Rot. Bonds2

About 3-(2-chlorophenoxy)benzonitrile

3-(2-chlorophenoxy)benzonitrile (PubChem CID 22148146) has the molecular formula C13H8ClNO and a molecular weight of 229.67 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)benzonitrile.

Molecular Properties

Compound Name3-(2-chlorophenoxy)benzonitrile
PubChem CID22148146
Molecular FormulaC13H8ClNO
Molecular Weight229.67 g/mol
Exact Mass229.03
IUPAC Name3-(2-chlorophenoxy)benzonitrile
SMILESN#Cc1cccc(Oc2ccccc2Cl)c1
InChIInChI=1S/C13H8ClNO/c14-12-6-1-2-7-13(12)16-11-5-3-4-10(8-11)9-15/h1-8H
InChIKeyZRTYZTKPLUWROZ-UHFFFAOYSA-N
XLogP4.00
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-(3-cyanophenoxy)benzonitrile
CID 55179484
3-(2,5-dichlorophenoxy)benzonitrile
CID 86153533
calcium;3-(4-amino-2-chlorophenoxy)benzonitrile;dichloride
CID 172810824
3-chloro-4-(3-cyanophenoxy)benzoic acid
CID 81151688
3-(2-formylphenoxy)benzonitrile
CID 28603906
3-(2-methylsulfanylphenoxy)benzonitrile
CID 102818123
3-(4-acetyl-2-chlorophenoxy)benzonitrile
CID 55131875
3-(4-amino-5-chloro-2-methylphenoxy)benzonitrile
CID 113334441
4-(2-chlorophenoxy)-3-methylbenzonitrile
CID 54934374
2-(3-cyanophenoxy)benzenecarbothioic S-acid
CID 175378673
N-[2-(3-cyanophenoxy)phenyl]formamide
CID 168652990
3-(2-nitrophenoxy)benzonitrile
CID 9194888

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)benzonitrile?
The IUPAC name of 3-(2-chlorophenoxy)benzonitrile (CID 22148146) is 3-(2-chlorophenoxy)benzonitrile.
What is the SMILES notation for 3-(2-chlorophenoxy)benzonitrile?
The canonical SMILES for 3-(2-chlorophenoxy)benzonitrile is N#Cc1cccc(Oc2ccccc2Cl)c1.
What is the InChIKey of 3-(2-chlorophenoxy)benzonitrile?
The InChIKey is ZRTYZTKPLUWROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO/c14-12-6-1-2-7-13(12)16-11-5-3-4-10(8-11)9-15/h1-8H.
What are the key properties of 3-(2-chlorophenoxy)benzonitrile?
3-(2-chlorophenoxy)benzonitrile has a molecular weight of 229.67 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)benzonitrile is sourced from PubChem (CID 22148146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).