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

C17H23NO — CID 43292903

IUPAC4-ethyl-2-(2-ethylphenoxy)cyclohexane-1-carbonitrile
SMILESCCc1ccccc1OC1CC(CC)CCC1C#N
InChIInChI=1S/C17H23NO/c1-3-13-9-10-15(12-18)17(11-13)19-16-8-6-5-7-14(16)4-2/h5-8,13,15,17H,3-4,9-11H2,1-2H3
InChIKeyDTJITNPSFRUYAM-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.35
Rot. Bonds4

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

4-ethyl-2-(2-ethylphenoxy)cyclohexane-1-carbonitrile (PubChem CID 43292903) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-ethyl-2-(2-ethylphenoxy)cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name4-ethyl-2-(2-ethylphenoxy)cyclohexane-1-carbonitrile
PubChem CID43292903
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name4-ethyl-2-(2-ethylphenoxy)cyclohexane-1-carbonitrile
SMILESCCc1ccccc1OC1CC(CC)CCC1C#N
InChIInChI=1S/C17H23NO/c1-3-13-9-10-15(12-18)17(11-13)19-16-8-6-5-7-14(16)4-2/h5-8,13,15,17H,3-4,9-11H2,1-2H3
InChIKeyDTJITNPSFRUYAM-UHFFFAOYSA-N
XLogP4.35
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2-ethylphenoxy)cyclohexane-1-carbonitrile?
The IUPAC name of 4-ethyl-2-(2-ethylphenoxy)cyclohexane-1-carbonitrile (CID 43292903) is 4-ethyl-2-(2-ethylphenoxy)cyclohexane-1-carbonitrile.
What is the SMILES notation for 4-ethyl-2-(2-ethylphenoxy)cyclohexane-1-carbonitrile?
The canonical SMILES for 4-ethyl-2-(2-ethylphenoxy)cyclohexane-1-carbonitrile is CCc1ccccc1OC1CC(CC)CCC1C#N.
What is the InChIKey of 4-ethyl-2-(2-ethylphenoxy)cyclohexane-1-carbonitrile?
The InChIKey is DTJITNPSFRUYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-3-13-9-10-15(12-18)17(11-13)19-16-8-6-5-7-14(16)4-2/h5-8,13,15,17H,3-4,9-11H2,1-2H3.
What are the key properties of 4-ethyl-2-(2-ethylphenoxy)cyclohexane-1-carbonitrile?
4-ethyl-2-(2-ethylphenoxy)cyclohexane-1-carbonitrile has a molecular weight of 257.38 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2-ethylphenoxy)cyclohexane-1-carbonitrile is sourced from PubChem (CID 43292903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).