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

C17H23NO — CID 43292301

IUPAC2-(3,4-dimethylphenoxy)-4-ethylcyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(Oc2ccc(C)c(C)c2)C1
InChIInChI=1S/C17H23NO/c1-4-14-6-7-15(11-18)17(10-14)19-16-8-5-12(2)13(3)9-16/h5,8-9,14-15,17H,4,6-7,10H2,1-3H3
InChIKeyDOOUQRYKUZGZEM-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.40
Rot. Bonds3

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

2-(3,4-dimethylphenoxy)-4-ethylcyclohexane-1-carbonitrile (PubChem CID 43292301) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-4-ethylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-4-ethylcyclohexane-1-carbonitrile
PubChem CID43292301
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2-(3,4-dimethylphenoxy)-4-ethylcyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(Oc2ccc(C)c(C)c2)C1
InChIInChI=1S/C17H23NO/c1-4-14-6-7-15(11-18)17(10-14)19-16-8-5-12(2)13(3)9-16/h5,8-9,14-15,17H,4,6-7,10H2,1-3H3
InChIKeyDOOUQRYKUZGZEM-UHFFFAOYSA-N
XLogP4.40
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 ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-dimethylphenoxy)-4-ethylcyclohexane-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

Related Compounds

2-(3,4-dimethylphenoxy)-4-propylcyclohexane-1-carbonitrile
CID 43292305
2-(2,5-dimethylphenoxy)-4-ethylcyclohexane-1-carbonitrile
CID 43292294
2-(4-chloro-3-ethylphenoxy)-4-ethylcyclohexane-1-carbonitrile
CID 43292922
[2-(3,4-dimethylphenoxy)-4-ethylcyclohexyl]methanamine
CID 43293944
2-(2,3-dimethylphenoxy)-4-ethylcyclohexane-1-carbonitrile
CID 43292222
4-ethyl-2-(2-iodophenoxy)cyclohexane-1-carbonitrile
CID 43479716
4-ethyl-2-(2-ethylphenoxy)cyclohexane-1-carbonitrile
CID 43292903
4-ethyl-2-naphthalen-1-yloxycyclohexane-1-carbonitrile
CID 43292392
4-ethyl-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
CID 107170256
2-(4-chloro-3-methylphenoxy)-4-ethyl-N-methylcyclohexan-1-amine
CID 63500371
4-ethyl-2-(3-methyl-4-propan-2-ylphenoxy)cyclohexan-1-ol
CID 63472705
2-(4-chloro-3-methylphenoxy)cycloheptane-1-carbonitrile
CID 43292618

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-4-ethylcyclohexane-1-carbonitrile?
The IUPAC name of 2-(3,4-dimethylphenoxy)-4-ethylcyclohexane-1-carbonitrile (CID 43292301) is 2-(3,4-dimethylphenoxy)-4-ethylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-4-ethylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-4-ethylcyclohexane-1-carbonitrile is CCC1CCC(C#N)C(Oc2ccc(C)c(C)c2)C1.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-4-ethylcyclohexane-1-carbonitrile?
The InChIKey is DOOUQRYKUZGZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-4-14-6-7-15(11-18)17(10-14)19-16-8-5-12(2)13(3)9-16/h5,8-9,14-15,17H,4,6-7,10H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenoxy)-4-ethylcyclohexane-1-carbonitrile?
2-(3,4-dimethylphenoxy)-4-ethylcyclohexane-1-carbonitrile has a molecular weight of 257.38 g/mol, XLogP of 4.40, 3 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-ethylcyclohexane-1-carbonitrile is sourced from PubChem (CID 43292301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).