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

C15H13NO2 — CID 11557752

IUPAC3-methoxy-4-(2-methylphenoxy)benzonitrile
SMILESCOc1cc(C#N)ccc1Oc1ccccc1C
InChIInChI=1S/C15H13NO2/c1-11-5-3-4-6-13(11)18-14-8-7-12(10-16)9-15(14)17-2/h3-9H,1-2H3
InChIKeyVDMHQBDHJWOOTF-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.67
Rot. Bonds3

About 3-methoxy-4-(2-methylphenoxy)benzonitrile

3-methoxy-4-(2-methylphenoxy)benzonitrile (PubChem CID 11557752) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3-methoxy-4-(2-methylphenoxy)benzonitrile.

Molecular Properties

Compound Name3-methoxy-4-(2-methylphenoxy)benzonitrile
PubChem CID11557752
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name3-methoxy-4-(2-methylphenoxy)benzonitrile
SMILESCOc1cc(C#N)ccc1Oc1ccccc1C
InChIInChI=1S/C15H13NO2/c1-11-5-3-4-6-13(11)18-14-8-7-12(10-16)9-15(14)17-2/h3-9H,1-2H3
InChIKeyVDMHQBDHJWOOTF-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 3-methoxy-4-(2-methylphenoxy)benzonitrile?
The IUPAC name of 3-methoxy-4-(2-methylphenoxy)benzonitrile (CID 11557752) is 3-methoxy-4-(2-methylphenoxy)benzonitrile.
What is the SMILES notation for 3-methoxy-4-(2-methylphenoxy)benzonitrile?
The canonical SMILES for 3-methoxy-4-(2-methylphenoxy)benzonitrile is COc1cc(C#N)ccc1Oc1ccccc1C.
What is the InChIKey of 3-methoxy-4-(2-methylphenoxy)benzonitrile?
The InChIKey is VDMHQBDHJWOOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-11-5-3-4-6-13(11)18-14-8-7-12(10-16)9-15(14)17-2/h3-9H,1-2H3.
What are the key properties of 3-methoxy-4-(2-methylphenoxy)benzonitrile?
3-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 3-methoxy-4-(2-methylphenoxy)benzonitrile is sourced from PubChem (CID 11557752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).