2-(2,5-dimethylphenoxy)-4-ethylcyclohexane-1-carbonitrile

C17H23NO — CID 43292294

IUPAC2-(2,5-dimethylphenoxy)-4-ethylcyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(Oc2cc(C)ccc2C)C1
InChIInChI=1S/C17H23NO/c1-4-14-7-8-15(11-18)17(10-14)19-16-9-12(2)5-6-13(16)3/h5-6,9,14-15,17H,4,7-8,10H2,1-3H3
InChIKeyWDEYOCCBUBWUHZ-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.40
Rot. Bonds3

About 2-(2,5-dimethylphenoxy)-4-ethylcyclohexane-1-carbonitrile

2-(2,5-dimethylphenoxy)-4-ethylcyclohexane-1-carbonitrile (PubChem CID 43292294) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-4-ethylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-4-ethylcyclohexane-1-carbonitrile
PubChem CID43292294
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2-(2,5-dimethylphenoxy)-4-ethylcyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(Oc2cc(C)ccc2C)C1
InChIInChI=1S/C17H23NO/c1-4-14-7-8-15(11-18)17(10-14)19-16-9-12(2)5-6-13(16)3/h5-6,9,14-15,17H,4,7-8,10H2,1-3H3
InChIKeyWDEYOCCBUBWUHZ-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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-4-ethylcyclohexane-1-carbonitrile?
The IUPAC name of 2-(2,5-dimethylphenoxy)-4-ethylcyclohexane-1-carbonitrile (CID 43292294) is 2-(2,5-dimethylphenoxy)-4-ethylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-4-ethylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-4-ethylcyclohexane-1-carbonitrile is CCC1CCC(C#N)C(Oc2cc(C)ccc2C)C1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-4-ethylcyclohexane-1-carbonitrile?
The InChIKey is WDEYOCCBUBWUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-4-14-7-8-15(11-18)17(10-14)19-16-9-12(2)5-6-13(16)3/h5-6,9,14-15,17H,4,7-8,10H2,1-3H3.
What are the key properties of 2-(2,5-dimethylphenoxy)-4-ethylcyclohexane-1-carbonitrile?
2-(2,5-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-(2,5-dimethylphenoxy)-4-ethylcyclohexane-1-carbonitrile is sourced from PubChem (CID 43292294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).