2-(methoxymethoxy)benzonitrile

C9H9NO2 — CID 10352018

IUPAC2-(methoxymethoxy)benzonitrile
SMILESCOCOc1ccccc1C#N
InChIInChI=1S/C9H9NO2/c1-11-7-12-9-5-3-2-4-8(9)6-10/h2-5H,7H2,1H3
InChIKeyCAZBPZZSKGBVTE-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.54
Rot. Bonds3

About 2-(methoxymethoxy)benzonitrile

2-(methoxymethoxy)benzonitrile (PubChem CID 10352018) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 2-(methoxymethoxy)benzonitrile.

Molecular Properties

Compound Name2-(methoxymethoxy)benzonitrile
PubChem CID10352018
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name2-(methoxymethoxy)benzonitrile
SMILESCOCOc1ccccc1C#N
InChIInChI=1S/C9H9NO2/c1-11-7-12-9-5-3-2-4-8(9)6-10/h2-5H,7H2,1H3
InChIKeyCAZBPZZSKGBVTE-UHFFFAOYSA-N
XLogP1.54
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-(methoxymethoxy)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-fluoro-3-(methoxymethoxy)benzonitrile
CID 142496816
2-[2-(2-methoxyphenoxy)ethoxy]benzonitrile
CID 20987769
2-(cyanomethoxy)benzonitrile
CID 4156437
2-[2-(methoxymethoxy)phenyl]ethynyl-trimethylsilane
CID 53486603
2-[3-(3-methoxypropylsulfanyl)propoxy]benzonitrile
CID 63856464
CID 153450220
CID 153450220
2-(3-chloropropoxy)benzonitrile
CID 14407183
2-prop-2-ynoxybenzonitrile
CID 11040948
2-(methoxymethoxy)-6-methylbenzonitrile
CID 58963842
2-phenylmethoxybenzonitrile;propane
CID 142369146
2-[(E)-but-2-enoxy]benzonitrile
CID 15264428
2-[2-[ethyl(methyl)amino]ethoxy]benzonitrile
CID 43288930

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethoxy)benzonitrile?
The IUPAC name of 2-(methoxymethoxy)benzonitrile (CID 10352018) is 2-(methoxymethoxy)benzonitrile.
What is the SMILES notation for 2-(methoxymethoxy)benzonitrile?
The canonical SMILES for 2-(methoxymethoxy)benzonitrile is COCOc1ccccc1C#N.
What is the InChIKey of 2-(methoxymethoxy)benzonitrile?
The InChIKey is CAZBPZZSKGBVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-11-7-12-9-5-3-2-4-8(9)6-10/h2-5H,7H2,1H3.
What are the key properties of 2-(methoxymethoxy)benzonitrile?
2-(methoxymethoxy)benzonitrile has a molecular weight of 163.18 g/mol, XLogP of 1.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethoxy)benzonitrile is sourced from PubChem (CID 10352018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).