4-ethyl-2-(2-iodophenoxy)cyclohexane-1-carbonitrile

C15H18INO — CID 43479716

IUPAC4-ethyl-2-(2-iodophenoxy)cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(Oc2ccccc2I)C1
InChIInChI=1S/C15H18INO/c1-2-11-7-8-12(10-17)15(9-11)18-14-6-4-3-5-13(14)16/h3-6,11-12,15H,2,7-9H2,1H3
InChIKeyATXJTGVBGXSPTQ-UHFFFAOYSA-N
MW355.22 g/mol
LogP4.39
Rot. Bonds3

About 4-ethyl-2-(2-iodophenoxy)cyclohexane-1-carbonitrile

4-ethyl-2-(2-iodophenoxy)cyclohexane-1-carbonitrile (PubChem CID 43479716) has the molecular formula C15H18INO and a molecular weight of 355.22 g/mol. Its IUPAC name is 4-ethyl-2-(2-iodophenoxy)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-ethyl-2-(2-iodophenoxy)cyclohexane-1-carbonitrile
PubChem CID43479716
Molecular FormulaC15H18INO
Molecular Weight355.22 g/mol
Exact Mass355.04
IUPAC Name4-ethyl-2-(2-iodophenoxy)cyclohexane-1-carbonitrile
SMILESCCC1CCC(C#N)C(Oc2ccccc2I)C1
InChIInChI=1S/C15H18INO/c1-2-11-7-8-12(10-17)15(9-11)18-14-6-4-3-5-13(14)16/h3-6,11-12,15H,2,7-9H2,1H3
InChIKeyATXJTGVBGXSPTQ-UHFFFAOYSA-N
XLogP4.39
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-2-(2-ethylphenoxy)cyclohexane-1-carbonitrile
CID 43292903
4-ethyl-2-naphthalen-1-yloxycyclohexane-1-carbonitrile
CID 43292392
2-(2,3-dimethylphenoxy)-4-ethylcyclohexane-1-carbonitrile
CID 43292222
2-(2,5-dimethylphenoxy)-4-ethylcyclohexane-1-carbonitrile
CID 43292294
1-(4-ethylcyclohexyl)oxy-2-iodobenzene
CID 64747905
2-(3,4-dimethylphenoxy)-4-ethylcyclohexane-1-carbonitrile
CID 43292301
2-[(2-chlorophenyl)methoxy]-4-ethylcyclohexane-1-carbonitrile
CID 43292468
2-(4-chloro-3-ethylphenoxy)-4-ethylcyclohexane-1-carbonitrile
CID 43292922
2-(3,4-dimethylphenoxy)-4-propylcyclohexane-1-carbonitrile
CID 43292305
2-(2-ethylphenoxy)cyclopentane-1-carbonitrile
CID 43292906
4-ethyl-2-pentoxycyclohexane-1-carbonitrile
CID 43292948
2-[cyclopropylmethyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile
CID 55026446

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2-iodophenoxy)cyclohexane-1-carbonitrile?
The IUPAC name of 4-ethyl-2-(2-iodophenoxy)cyclohexane-1-carbonitrile (CID 43479716) is 4-ethyl-2-(2-iodophenoxy)cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-ethyl-2-(2-iodophenoxy)cyclohexane-1-carbonitrile?
The canonical SMILES for 4-ethyl-2-(2-iodophenoxy)cyclohexane-1-carbonitrile is CCC1CCC(C#N)C(Oc2ccccc2I)C1.
What is the InChIKey of 4-ethyl-2-(2-iodophenoxy)cyclohexane-1-carbonitrile?
The InChIKey is ATXJTGVBGXSPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18INO/c1-2-11-7-8-12(10-17)15(9-11)18-14-6-4-3-5-13(14)16/h3-6,11-12,15H,2,7-9H2,1H3.
What are the key properties of 4-ethyl-2-(2-iodophenoxy)cyclohexane-1-carbonitrile?
4-ethyl-2-(2-iodophenoxy)cyclohexane-1-carbonitrile has a molecular weight of 355.22 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2-iodophenoxy)cyclohexane-1-carbonitrile is sourced from PubChem (CID 43479716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).