4-(4-chlorophenoxy)benzonitrile

C13H8ClNO — CID 11195570

IUPAC4-(4-chlorophenoxy)benzonitrile
SMILESN#Cc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H8ClNO/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-8H
InChIKeySOTAPBLDXLHNRZ-UHFFFAOYSA-N
MW229.67 g/mol
LogP4.00
Rot. Bonds2

About 4-(4-chlorophenoxy)benzonitrile

4-(4-chlorophenoxy)benzonitrile (PubChem CID 11195570) has the molecular formula C13H8ClNO and a molecular weight of 229.67 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)benzonitrile.

Molecular Properties

Compound Name4-(4-chlorophenoxy)benzonitrile
PubChem CID11195570
Molecular FormulaC13H8ClNO
Molecular Weight229.67 g/mol
Exact Mass229.03
IUPAC Name4-(4-chlorophenoxy)benzonitrile
SMILESN#Cc1ccc(Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C13H8ClNO/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-8H
InChIKeySOTAPBLDXLHNRZ-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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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)benzonitrile?
The IUPAC name of 4-(4-chlorophenoxy)benzonitrile (CID 11195570) is 4-(4-chlorophenoxy)benzonitrile.
What is the SMILES notation for 4-(4-chlorophenoxy)benzonitrile?
The canonical SMILES for 4-(4-chlorophenoxy)benzonitrile is N#Cc1ccc(Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenoxy)benzonitrile?
The InChIKey is SOTAPBLDXLHNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-8H.
What are the key properties of 4-(4-chlorophenoxy)benzonitrile?
4-(4-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 4-(4-chlorophenoxy)benzonitrile is sourced from PubChem (CID 11195570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).