2-methoxy-4-(2-methylphenoxy)benzonitrile

C15H13NO2 — CID 11715659

IUPAC2-methoxy-4-(2-methylphenoxy)benzonitrile
SMILESCOc1cc(Oc2ccccc2C)ccc1C#N
InChIInChI=1S/C15H13NO2/c1-11-5-3-4-6-14(11)18-13-8-7-12(10-16)15(9-13)17-2/h3-9H,1-2H3
InChIKeyQZFFCZYDLZAYFR-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.67
Rot. Bonds3

About 2-methoxy-4-(2-methylphenoxy)benzonitrile

2-methoxy-4-(2-methylphenoxy)benzonitrile (PubChem CID 11715659) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-methoxy-4-(2-methylphenoxy)benzonitrile.

Molecular Properties

Compound Name2-methoxy-4-(2-methylphenoxy)benzonitrile
PubChem CID11715659
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name2-methoxy-4-(2-methylphenoxy)benzonitrile
SMILESCOc1cc(Oc2ccccc2C)ccc1C#N
InChIInChI=1S/C15H13NO2/c1-11-5-3-4-6-14(11)18-13-8-7-12(10-16)15(9-13)17-2/h3-9H,1-2H3
InChIKeyQZFFCZYDLZAYFR-UHFFFAOYSA-N
XLogP3.67
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(2-methylphenoxy)benzonitrile?
The IUPAC name of 2-methoxy-4-(2-methylphenoxy)benzonitrile (CID 11715659) is 2-methoxy-4-(2-methylphenoxy)benzonitrile.
What is the SMILES notation for 2-methoxy-4-(2-methylphenoxy)benzonitrile?
The canonical SMILES for 2-methoxy-4-(2-methylphenoxy)benzonitrile is COc1cc(Oc2ccccc2C)ccc1C#N.
What is the InChIKey of 2-methoxy-4-(2-methylphenoxy)benzonitrile?
The InChIKey is QZFFCZYDLZAYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-11-5-3-4-6-14(11)18-13-8-7-12(10-16)15(9-13)17-2/h3-9H,1-2H3.
What are the key properties of 2-methoxy-4-(2-methylphenoxy)benzonitrile?
2-methoxy-4-(2-methylphenoxy)benzonitrile has a molecular weight of 239.27 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-(2-methylphenoxy)benzonitrile is sourced from PubChem (CID 11715659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).