2,6-dimethyl-4-[(4-methylcyclohexyl)methoxy]benzonitrile

C17H23NO — CID 66585049

IUPAC2,6-dimethyl-4-[(4-methylcyclohexyl)methoxy]benzonitrile
SMILESCc1cc(OCC2CCC(C)CC2)cc(C)c1C#N
InChIInChI=1S/C17H23NO/c1-12-4-6-15(7-5-12)11-19-16-8-13(2)17(10-18)14(3)9-16/h8-9,12,15H,4-7,11H2,1-3H3
InChIKeyJCNONNXNYNPOFW-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.38
Rot. Bonds3

About 2,6-dimethyl-4-[(4-methylcyclohexyl)methoxy]benzonitrile

2,6-dimethyl-4-[(4-methylcyclohexyl)methoxy]benzonitrile (PubChem CID 66585049) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2,6-dimethyl-4-[(4-methylcyclohexyl)methoxy]benzonitrile.

Molecular Properties

Compound Name2,6-dimethyl-4-[(4-methylcyclohexyl)methoxy]benzonitrile
PubChem CID66585049
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2,6-dimethyl-4-[(4-methylcyclohexyl)methoxy]benzonitrile
SMILESCc1cc(OCC2CCC(C)CC2)cc(C)c1C#N
InChIInChI=1S/C17H23NO/c1-12-4-6-15(7-5-12)11-19-16-8-13(2)17(10-18)14(3)9-16/h8-9,12,15H,4-7,11H2,1-3H3
InChIKeyJCNONNXNYNPOFW-UHFFFAOYSA-N
XLogP4.38
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,6-dimethyl-4-[(4-methylcyclohexyl)methoxy]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

2,6-dimethyl-4-[(4-methylcyclohexyl)methyl]benzonitrile;vanadium
CID 159912405
2,6-dimethyl-4-(4-methylcyclohexyl)benzonitrile
CID 22942556
1-(cyclopropylmethoxy)-4-(4-methylcyclohexyl)benzene
CID 21137247
2-(4-cyano-3,5-dimethylphenoxy)acetic acid
CID 141147610
methanethiol;1-methyl-4-[[4-(4-methylcyclohexyl)cyclohexyl]methoxy]benzene
CID 144724148
2,6-difluoro-4-(piperidin-4-ylmethoxy)benzonitrile
CID 126695840
3-methyl-6-[2-(4-methylcyclohexyl)ethyl]benzene-1,2-dicarbonitrile
CID 66584965
1-[4-(cyclopropylmethoxy)-2,6-dimethylphenyl]butan-2-amine
CID 170890252
1-(bromomethyl)-4-(cyclopropylmethoxy)-2-methylbenzene
CID 68763979
(Z)-3-amino-2-hydrazinyl-3-[3-[(4-methylcyclohexyl)methoxy]phenyl]prop-2-enenitrile
CID 170147982
2-fluoro-1-methyl-3-[(4-methylcyclohexyl)methoxy]benzene
CID 143507707
2,3-difluoro-1-methyl-4-[(4-methylcyclohexyl)methoxy]benzene;ethane
CID 145011796

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[(4-methylcyclohexyl)methoxy]benzonitrile?
The IUPAC name of 2,6-dimethyl-4-[(4-methylcyclohexyl)methoxy]benzonitrile (CID 66585049) is 2,6-dimethyl-4-[(4-methylcyclohexyl)methoxy]benzonitrile.
What is the SMILES notation for 2,6-dimethyl-4-[(4-methylcyclohexyl)methoxy]benzonitrile?
The canonical SMILES for 2,6-dimethyl-4-[(4-methylcyclohexyl)methoxy]benzonitrile is Cc1cc(OCC2CCC(C)CC2)cc(C)c1C#N.
What is the InChIKey of 2,6-dimethyl-4-[(4-methylcyclohexyl)methoxy]benzonitrile?
The InChIKey is JCNONNXNYNPOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-12-4-6-15(7-5-12)11-19-16-8-13(2)17(10-18)14(3)9-16/h8-9,12,15H,4-7,11H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-[(4-methylcyclohexyl)methoxy]benzonitrile?
2,6-dimethyl-4-[(4-methylcyclohexyl)methoxy]benzonitrile has a molecular weight of 257.38 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[(4-methylcyclohexyl)methoxy]benzonitrile is sourced from PubChem (CID 66585049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).