2-(2,4-dimethylphenoxy)-5-methylbenzonitrile

C16H15NO — CID 107928070

IUPAC2-(2,4-dimethylphenoxy)-5-methylbenzonitrile
SMILESCc1ccc(Oc2ccc(C)cc2C#N)c(C)c1
InChIInChI=1S/C16H15NO/c1-11-4-6-15(13(3)8-11)18-16-7-5-12(2)9-14(16)10-17/h4-9H,1-3H3
InChIKeyXWVYEMHKLPVJOP-UHFFFAOYSA-N
MW237.30 g/mol
LogP4.28
Rot. Bonds2

About 2-(2,4-dimethylphenoxy)-5-methylbenzonitrile

2-(2,4-dimethylphenoxy)-5-methylbenzonitrile (PubChem CID 107928070) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-5-methylbenzonitrile.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-5-methylbenzonitrile
PubChem CID107928070
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name2-(2,4-dimethylphenoxy)-5-methylbenzonitrile
SMILESCc1ccc(Oc2ccc(C)cc2C#N)c(C)c1
InChIInChI=1S/C16H15NO/c1-11-4-6-15(13(3)8-11)18-16-7-5-12(2)9-14(16)10-17/h4-9H,1-3H3
InChIKeyXWVYEMHKLPVJOP-UHFFFAOYSA-N
XLogP4.28
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,4-dimethylphenoxy)-5-methylbenzonitrile 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-(4-fluoro-2-methylphenoxy)-5-methylbenzonitrile
CID 114017002
4-(2-cyano-4-methylphenoxy)-3-methylbenzoic acid
CID 107931920
2-(2-chloro-5-methylphenoxy)-5-methylbenzonitrile
CID 107928144
2-(4-bromo-2-methylphenoxy)-4-methylbenzonitrile
CID 63512756
4-(2-cyano-4-methylphenoxy)-3,5-dimethylbenzonitrile
CID 107928220
2-(2,5-dimethylphenoxy)-4-methylbenzonitrile
CID 63511560
5-methyl-2-(3-methylphenoxy)benzonitrile
CID 107928086
4-(2,4-dimethylphenoxy)-3-hydroxybenzonitrile
CID 143183176
5-methyl-2-(5-methyl-2-nitrophenoxy)benzonitrile
CID 107928162
5-methyl-2-[(2-methyl-3-pyridinyl)oxy]benzonitrile
CID 107928229
2-(2-amino-4-bromophenoxy)-5-methylbenzonitrile
CID 114017421
5-methyl-2-[2-(trifluoromethyl)phenoxy]benzonitrile
CID 107928062

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-5-methylbenzonitrile?
The IUPAC name of 2-(2,4-dimethylphenoxy)-5-methylbenzonitrile (CID 107928070) is 2-(2,4-dimethylphenoxy)-5-methylbenzonitrile.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-5-methylbenzonitrile?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-5-methylbenzonitrile is Cc1ccc(Oc2ccc(C)cc2C#N)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-5-methylbenzonitrile?
The InChIKey is XWVYEMHKLPVJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-11-4-6-15(13(3)8-11)18-16-7-5-12(2)9-14(16)10-17/h4-9H,1-3H3.
What are the key properties of 2-(2,4-dimethylphenoxy)-5-methylbenzonitrile?
2-(2,4-dimethylphenoxy)-5-methylbenzonitrile has a molecular weight of 237.30 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-5-methylbenzonitrile is sourced from PubChem (CID 107928070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).