3-chloro-4-(3-cyanophenoxy)benzonitrile

C14H7ClN2O — CID 55179484

IUPAC3-chloro-4-(3-cyanophenoxy)benzonitrile
SMILESN#Cc1cccc(Oc2ccc(C#N)cc2Cl)c1
InChIInChI=1S/C14H7ClN2O/c15-13-7-11(9-17)4-5-14(13)18-12-3-1-2-10(6-12)8-16/h1-7H
InChIKeyDJJUMVQBPUFFOP-UHFFFAOYSA-N
MW254.68 g/mol
LogP3.88
Rot. Bonds2

About 3-chloro-4-(3-cyanophenoxy)benzonitrile

3-chloro-4-(3-cyanophenoxy)benzonitrile (PubChem CID 55179484) has the molecular formula C14H7ClN2O and a molecular weight of 254.68 g/mol. Its IUPAC name is 3-chloro-4-(3-cyanophenoxy)benzonitrile.

Molecular Properties

Compound Name3-chloro-4-(3-cyanophenoxy)benzonitrile
PubChem CID55179484
Molecular FormulaC14H7ClN2O
Molecular Weight254.68 g/mol
Exact Mass254.02
IUPAC Name3-chloro-4-(3-cyanophenoxy)benzonitrile
SMILESN#Cc1cccc(Oc2ccc(C#N)cc2Cl)c1
InChIInChI=1S/C14H7ClN2O/c15-13-7-11(9-17)4-5-14(13)18-12-3-1-2-10(6-12)8-16/h1-7H
InChIKeyDJJUMVQBPUFFOP-UHFFFAOYSA-N
XLogP3.88
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenoxy)benzonitrile
CID 22148146
calcium;3-(4-amino-2-chlorophenoxy)benzonitrile;dichloride
CID 172810824
3-chloro-4-(3-cyanophenoxy)benzoic acid
CID 81151688
3-(4-acetyl-2-chlorophenoxy)benzonitrile
CID 55131875
3-chloro-4-pyridin-3-yloxybenzonitrile
CID 63088061
3-(2,5-dichlorophenoxy)benzonitrile
CID 86153533
3-chloro-4-(4-iodophenoxy)benzonitrile
CID 55221862
3-(4-amino-5-chloro-2-methylphenoxy)benzonitrile
CID 113334441
4-(2-chloro-4-cyanophenoxy)-3-fluorobenzonitrile
CID 107664801
3-chloro-4-(2,5-dichlorophenoxy)benzonitrile
CID 55223268
3-(2-amino-3-bromophenoxy)benzonitrile
CID 170702744
3-chloro-4-(4-propylphenoxy)benzonitrile
CID 63513963

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(3-cyanophenoxy)benzonitrile?
The IUPAC name of 3-chloro-4-(3-cyanophenoxy)benzonitrile (CID 55179484) is 3-chloro-4-(3-cyanophenoxy)benzonitrile.
What is the SMILES notation for 3-chloro-4-(3-cyanophenoxy)benzonitrile?
The canonical SMILES for 3-chloro-4-(3-cyanophenoxy)benzonitrile is N#Cc1cccc(Oc2ccc(C#N)cc2Cl)c1.
What is the InChIKey of 3-chloro-4-(3-cyanophenoxy)benzonitrile?
The InChIKey is DJJUMVQBPUFFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7ClN2O/c15-13-7-11(9-17)4-5-14(13)18-12-3-1-2-10(6-12)8-16/h1-7H.
What are the key properties of 3-chloro-4-(3-cyanophenoxy)benzonitrile?
3-chloro-4-(3-cyanophenoxy)benzonitrile has a molecular weight of 254.68 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(3-cyanophenoxy)benzonitrile is sourced from PubChem (CID 55179484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).