5-methyl-2-(3-methylphenoxy)benzonitrile

C15H13NO — CID 107928086

IUPAC5-methyl-2-(3-methylphenoxy)benzonitrile
SMILESCc1cccc(Oc2ccc(C)cc2C#N)c1
InChIInChI=1S/C15H13NO/c1-11-4-3-5-14(9-11)17-15-7-6-12(2)8-13(15)10-16/h3-9H,1-2H3
InChIKeyHRVUPPYDAMGYIB-UHFFFAOYSA-N
MW223.27 g/mol
LogP3.97
Rot. Bonds2

About 5-methyl-2-(3-methylphenoxy)benzonitrile

5-methyl-2-(3-methylphenoxy)benzonitrile (PubChem CID 107928086) has the molecular formula C15H13NO and a molecular weight of 223.27 g/mol. Its IUPAC name is 5-methyl-2-(3-methylphenoxy)benzonitrile.

Molecular Properties

Compound Name5-methyl-2-(3-methylphenoxy)benzonitrile
PubChem CID107928086
Molecular FormulaC15H13NO
Molecular Weight223.27 g/mol
Exact Mass223.10
IUPAC Name5-methyl-2-(3-methylphenoxy)benzonitrile
SMILESCc1cccc(Oc2ccc(C)cc2C#N)c1
InChIInChI=1S/C15H13NO/c1-11-4-3-5-14(9-11)17-15-7-6-12(2)8-13(15)10-16/h3-9H,1-2H3
InChIKeyHRVUPPYDAMGYIB-UHFFFAOYSA-N
XLogP3.97
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-methyl-2-(3-methylphenoxy)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-ethoxyphenoxy)-5-methylbenzonitrile
CID 107928195
2-[3-(2-cyano-4-methylphenoxy)phenyl]acetic acid
CID 107931905
2-(3-bromophenoxy)-4-methylbenzonitrile
CID 63511715
2-(2,4-dimethylphenoxy)-5-methylbenzonitrile
CID 107928070
2-[4-(cyanomethyl)phenoxy]-5-methylbenzonitrile
CID 107928072
3-hydroxy-4-(3-methylphenoxy)benzonitrile
CID 143183163
5-chloro-2-(3-chlorophenoxy)benzonitrile
CID 63512022
2-(2-chloro-5-methylphenoxy)-5-methylbenzonitrile
CID 107928144
2-(4-methoxy-3-nitrophenoxy)-5-methylbenzonitrile
CID 107928276
2-(3-bromo-5-fluorophenoxy)-5-methylbenzonitrile
CID 107928233
4,5-diphenoxybenzene-1,2-dicarbonitrile
CID 680327
4-(2-cyano-4-methylphenoxy)-3,5-dimethylbenzonitrile
CID 107928220

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(3-methylphenoxy)benzonitrile?
The IUPAC name of 5-methyl-2-(3-methylphenoxy)benzonitrile (CID 107928086) is 5-methyl-2-(3-methylphenoxy)benzonitrile.
What is the SMILES notation for 5-methyl-2-(3-methylphenoxy)benzonitrile?
The canonical SMILES for 5-methyl-2-(3-methylphenoxy)benzonitrile is Cc1cccc(Oc2ccc(C)cc2C#N)c1.
What is the InChIKey of 5-methyl-2-(3-methylphenoxy)benzonitrile?
The InChIKey is HRVUPPYDAMGYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-11-4-3-5-14(9-11)17-15-7-6-12(2)8-13(15)10-16/h3-9H,1-2H3.
What are the key properties of 5-methyl-2-(3-methylphenoxy)benzonitrile?
5-methyl-2-(3-methylphenoxy)benzonitrile has a molecular weight of 223.27 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(3-methylphenoxy)benzonitrile is sourced from PubChem (CID 107928086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).