4-[4-(methoxymethyl)cyclohexyl]benzonitrile

C15H19NO — CID 597702

IUPAC4-[4-(methoxymethyl)cyclohexyl]benzonitrile
SMILESCOCC1CCC(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C15H19NO/c1-17-11-13-4-8-15(9-5-13)14-6-2-12(10-16)3-7-14/h2-3,6-7,13,15H,4-5,8-9,11H2,1H3
InChIKeyWBQSLPCFNYMITM-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.48
Rot. Bonds3

About 4-[4-(methoxymethyl)cyclohexyl]benzonitrile

4-[4-(methoxymethyl)cyclohexyl]benzonitrile (PubChem CID 597702) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 4-[4-(methoxymethyl)cyclohexyl]benzonitrile.

Molecular Properties

Compound Name4-[4-(methoxymethyl)cyclohexyl]benzonitrile
PubChem CID597702
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name4-[4-(methoxymethyl)cyclohexyl]benzonitrile
SMILESCOCC1CCC(c2ccc(C#N)cc2)CC1
InChIInChI=1S/C15H19NO/c1-17-11-13-4-8-15(9-5-13)14-6-2-12(10-16)3-7-14/h2-3,6-7,13,15H,4-5,8-9,11H2,1H3
InChIKeyWBQSLPCFNYMITM-UHFFFAOYSA-N
XLogP3.48
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[4-(methoxymethyl)cyclohexyl]benzonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(methoxymethyl)cyclohexyl]benzonitrile?
The IUPAC name of 4-[4-(methoxymethyl)cyclohexyl]benzonitrile (CID 597702) is 4-[4-(methoxymethyl)cyclohexyl]benzonitrile.
What is the SMILES notation for 4-[4-(methoxymethyl)cyclohexyl]benzonitrile?
The canonical SMILES for 4-[4-(methoxymethyl)cyclohexyl]benzonitrile is COCC1CCC(c2ccc(C#N)cc2)CC1.
What is the InChIKey of 4-[4-(methoxymethyl)cyclohexyl]benzonitrile?
The InChIKey is WBQSLPCFNYMITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-17-11-13-4-8-15(9-5-13)14-6-2-12(10-16)3-7-14/h2-3,6-7,13,15H,4-5,8-9,11H2,1H3.
What are the key properties of 4-[4-(methoxymethyl)cyclohexyl]benzonitrile?
4-[4-(methoxymethyl)cyclohexyl]benzonitrile has a molecular weight of 229.32 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methoxymethyl)cyclohexyl]benzonitrile is sourced from PubChem (CID 597702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).