2-chloro-6-(4-methoxyphenoxy)benzonitrile

C14H10ClNO2 — CID 2806107

IUPAC2-chloro-6-(4-methoxyphenoxy)benzonitrile
SMILESCOc1ccc(Oc2cccc(Cl)c2C#N)cc1
InChIInChI=1S/C14H10ClNO2/c1-17-10-5-7-11(8-6-10)18-14-4-2-3-13(15)12(14)9-16/h2-8H,1H3
InChIKeyWYOBVEHEVSCYJP-UHFFFAOYSA-N
MW259.69 g/mol
LogP4.01
Rot. Bonds3

About 2-chloro-6-(4-methoxyphenoxy)benzonitrile

2-chloro-6-(4-methoxyphenoxy)benzonitrile (PubChem CID 2806107) has the molecular formula C14H10ClNO2 and a molecular weight of 259.69 g/mol. Its IUPAC name is 2-chloro-6-(4-methoxyphenoxy)benzonitrile.

Molecular Properties

Compound Name2-chloro-6-(4-methoxyphenoxy)benzonitrile
PubChem CID2806107
Molecular FormulaC14H10ClNO2
Molecular Weight259.69 g/mol
Exact Mass259.04
IUPAC Name2-chloro-6-(4-methoxyphenoxy)benzonitrile
SMILESCOc1ccc(Oc2cccc(Cl)c2C#N)cc1
InChIInChI=1S/C14H10ClNO2/c1-17-10-5-7-11(8-6-10)18-14-4-2-3-13(15)12(14)9-16/h2-8H,1H3
InChIKeyWYOBVEHEVSCYJP-UHFFFAOYSA-N
XLogP4.01
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-methoxyphenoxy)benzonitrile?
The IUPAC name of 2-chloro-6-(4-methoxyphenoxy)benzonitrile (CID 2806107) is 2-chloro-6-(4-methoxyphenoxy)benzonitrile.
What is the SMILES notation for 2-chloro-6-(4-methoxyphenoxy)benzonitrile?
The canonical SMILES for 2-chloro-6-(4-methoxyphenoxy)benzonitrile is COc1ccc(Oc2cccc(Cl)c2C#N)cc1.
What is the InChIKey of 2-chloro-6-(4-methoxyphenoxy)benzonitrile?
The InChIKey is WYOBVEHEVSCYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2/c1-17-10-5-7-11(8-6-10)18-14-4-2-3-13(15)12(14)9-16/h2-8H,1H3.
What are the key properties of 2-chloro-6-(4-methoxyphenoxy)benzonitrile?
2-chloro-6-(4-methoxyphenoxy)benzonitrile has a molecular weight of 259.69 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-methoxyphenoxy)benzonitrile is sourced from PubChem (CID 2806107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).