2-(3,4-dimethylphenoxy)-4-propylcyclohexane-1-carbonitrile

C18H25NO — CID 43292305

IUPAC2-(3,4-dimethylphenoxy)-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)C(Oc2ccc(C)c(C)c2)C1
InChIInChI=1S/C18H25NO/c1-4-5-15-7-8-16(12-19)18(11-15)20-17-9-6-13(2)14(3)10-17/h6,9-10,15-16,18H,4-5,7-8,11H2,1-3H3
InChIKeyWFQIRIJHEXYHFX-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.79
Rot. Bonds4

About 2-(3,4-dimethylphenoxy)-4-propylcyclohexane-1-carbonitrile

2-(3,4-dimethylphenoxy)-4-propylcyclohexane-1-carbonitrile (PubChem CID 43292305) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-4-propylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-4-propylcyclohexane-1-carbonitrile
PubChem CID43292305
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2-(3,4-dimethylphenoxy)-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)C(Oc2ccc(C)c(C)c2)C1
InChIInChI=1S/C18H25NO/c1-4-5-15-7-8-16(12-19)18(11-15)20-17-9-6-13(2)14(3)10-17/h6,9-10,15-16,18H,4-5,7-8,11H2,1-3H3
InChIKeyWFQIRIJHEXYHFX-UHFFFAOYSA-N
XLogP4.79
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-dimethylphenoxy)-4-propylcyclohexane-1-carbonitrile 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 2-(3,4-dimethylphenoxy)-4-propylcyclohexane-1-carbonitrile?
The IUPAC name of 2-(3,4-dimethylphenoxy)-4-propylcyclohexane-1-carbonitrile (CID 43292305) is 2-(3,4-dimethylphenoxy)-4-propylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-4-propylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-4-propylcyclohexane-1-carbonitrile is CCCC1CCC(C#N)C(Oc2ccc(C)c(C)c2)C1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-4-propylcyclohexane-1-carbonitrile?
The InChIKey is WFQIRIJHEXYHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-4-5-15-7-8-16(12-19)18(11-15)20-17-9-6-13(2)14(3)10-17/h6,9-10,15-16,18H,4-5,7-8,11H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenoxy)-4-propylcyclohexane-1-carbonitrile?
2-(3,4-dimethylphenoxy)-4-propylcyclohexane-1-carbonitrile has a molecular weight of 271.40 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-4-propylcyclohexane-1-carbonitrile is sourced from PubChem (CID 43292305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).