2,4-dimethoxy-6-methylbenzonitrile

C10H11NO2 — CID 11435258

IUPAC2,4-dimethoxy-6-methylbenzonitrile
SMILESCOc1cc(C)c(C#N)c(OC)c1
InChIInChI=1S/C10H11NO2/c1-7-4-8(12-2)5-10(13-3)9(7)6-11/h4-5H,1-3H3
InChIKeySGXRDFSVDJBEAU-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.88
Rot. Bonds2

About 2,4-dimethoxy-6-methylbenzonitrile

2,4-dimethoxy-6-methylbenzonitrile (PubChem CID 11435258) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2,4-dimethoxy-6-methylbenzonitrile.

Molecular Properties

Compound Name2,4-dimethoxy-6-methylbenzonitrile
PubChem CID11435258
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name2,4-dimethoxy-6-methylbenzonitrile
SMILESCOc1cc(C)c(C#N)c(OC)c1
InChIInChI=1S/C10H11NO2/c1-7-4-8(12-2)5-10(13-3)9(7)6-11/h4-5H,1-3H3
InChIKeySGXRDFSVDJBEAU-UHFFFAOYSA-N
XLogP1.88
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4-dimethoxy-6-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-methoxy-4,6-dimethylbenzonitrile
CID 50883188
1,3,5-trimethoxy-2-[2-(2,4,6-trimethoxyphenyl)ethynyl]benzene
CID 4255842
2-methoxy-6-methyl-4-nitrobenzonitrile
CID 171031476
4-cyano-3-methoxy-5-methylbenzoyl chloride
CID 171027009
2-(2,4-dimethoxy-6-methylphenyl)acetonitrile
CID 42638625
2,4-dimethoxy-6-methylaniline;hydrate
CID 172746341
3-bromo-6-methoxy-2,4-dimethylbenzonitrile
CID 50883121
2-benzyl-4,6-dimethoxybenzonitrile
CID 101073971
4-chloro-2,6-dimethoxybenzonitrile
CID 71485579
2-amino-5,7-dimethoxy-1H-indole-3-carbonitrile
CID 166518306
2-bromo-6-methoxy-4-methylbenzonitrile
CID 131293442
3-methoxy-2,6-dimethylbenzonitrile
CID 118999351

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-methylbenzonitrile?
The IUPAC name of 2,4-dimethoxy-6-methylbenzonitrile (CID 11435258) is 2,4-dimethoxy-6-methylbenzonitrile.
What is the SMILES notation for 2,4-dimethoxy-6-methylbenzonitrile?
The canonical SMILES for 2,4-dimethoxy-6-methylbenzonitrile is COc1cc(C)c(C#N)c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-6-methylbenzonitrile?
The InChIKey is SGXRDFSVDJBEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-7-4-8(12-2)5-10(13-3)9(7)6-11/h4-5H,1-3H3.
What are the key properties of 2,4-dimethoxy-6-methylbenzonitrile?
2,4-dimethoxy-6-methylbenzonitrile has a molecular weight of 177.20 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-methylbenzonitrile is sourced from PubChem (CID 11435258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).