2-(4-methoxyphenoxy)benzonitrile

C14H11NO2 — CID 2767824

IUPAC2-(4-methoxyphenoxy)benzonitrile
SMILESCOc1ccc(Oc2ccccc2C#N)cc1
InChIInChI=1S/C14H11NO2/c1-16-12-6-8-13(9-7-12)17-14-5-3-2-4-11(14)10-15/h2-9H,1H3
InChIKeyPOUCYJIZEHTDSO-UHFFFAOYSA-N
MW225.25 g/mol
LogP3.36
Rot. Bonds3

About 2-(4-methoxyphenoxy)benzonitrile

2-(4-methoxyphenoxy)benzonitrile (PubChem CID 2767824) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)benzonitrile.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)benzonitrile
PubChem CID2767824
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name2-(4-methoxyphenoxy)benzonitrile
SMILESCOc1ccc(Oc2ccccc2C#N)cc1
InChIInChI=1S/C14H11NO2/c1-16-12-6-8-13(9-7-12)17-14-5-3-2-4-11(14)10-15/h2-9H,1H3
InChIKeyPOUCYJIZEHTDSO-UHFFFAOYSA-N
XLogP3.36
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)benzonitrile?
The IUPAC name of 2-(4-methoxyphenoxy)benzonitrile (CID 2767824) is 2-(4-methoxyphenoxy)benzonitrile.
What is the SMILES notation for 2-(4-methoxyphenoxy)benzonitrile?
The canonical SMILES for 2-(4-methoxyphenoxy)benzonitrile is COc1ccc(Oc2ccccc2C#N)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)benzonitrile?
The InChIKey is POUCYJIZEHTDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c1-16-12-6-8-13(9-7-12)17-14-5-3-2-4-11(14)10-15/h2-9H,1H3.
What are the key properties of 2-(4-methoxyphenoxy)benzonitrile?
2-(4-methoxyphenoxy)benzonitrile has a molecular weight of 225.25 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)benzonitrile is sourced from PubChem (CID 2767824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).