2-(2-cyclohexyl-2-oxoethoxy)benzonitrile

C15H17NO2 — CID 113223270

IUPAC2-(2-cyclohexyl-2-oxoethoxy)benzonitrile
SMILESN#Cc1ccccc1OCC(=O)C1CCCCC1
InChIInChI=1S/C15H17NO2/c16-10-13-8-4-5-9-15(13)18-11-14(17)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,11H2
InChIKeyHOYWLAPWDLRYCG-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.09
Rot. Bonds4

About 2-(2-cyclohexyl-2-oxoethoxy)benzonitrile

2-(2-cyclohexyl-2-oxoethoxy)benzonitrile (PubChem CID 113223270) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(2-cyclohexyl-2-oxoethoxy)benzonitrile.

Molecular Properties

Compound Name2-(2-cyclohexyl-2-oxoethoxy)benzonitrile
PubChem CID113223270
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name2-(2-cyclohexyl-2-oxoethoxy)benzonitrile
SMILESN#Cc1ccccc1OCC(=O)C1CCCCC1
InChIInChI=1S/C15H17NO2/c16-10-13-8-4-5-9-15(13)18-11-14(17)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,11H2
InChIKeyHOYWLAPWDLRYCG-UHFFFAOYSA-N
XLogP3.09
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(2-cyclohexyl-2-oxoethoxy)benzonitrile
CID 115776936
2-(2-bromophenoxy)-1-cyclohexylethanone
CID 115578561
2-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethoxy]benzonitrile
CID 51165397
1-cyclohexyl-2-(2-methylsulfanylphenoxy)ethanone
CID 104752083
1-cyclopentyl-2-[2-[(E)-prop-1-enyl]phenoxy]ethanone
CID 113449018
2-(2-cyanophenoxy)-N-(2-cyclopentylethyl)acetamide
CID 60731847
[2-(cyclohexylmethylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9317909
1-cyclohexyl-2-(2,3-dichlorophenoxy)ethanone
CID 115578570
4-(2-cyclohexyl-2-oxoethoxy)-3-fluorobenzonitrile
CID 103793502
1-cyclopentyl-2-(2-propan-2-ylphenoxy)ethanone
CID 104751801
2-(3-cyano-2-oxopropoxy)benzonitrile
CID 20617575
1-cyclohexyl-2-(2-fluoro-3-methylphenoxy)ethanone
CID 103988434

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyl-2-oxoethoxy)benzonitrile?
The IUPAC name of 2-(2-cyclohexyl-2-oxoethoxy)benzonitrile (CID 113223270) is 2-(2-cyclohexyl-2-oxoethoxy)benzonitrile.
What is the SMILES notation for 2-(2-cyclohexyl-2-oxoethoxy)benzonitrile?
The canonical SMILES for 2-(2-cyclohexyl-2-oxoethoxy)benzonitrile is N#Cc1ccccc1OCC(=O)C1CCCCC1.
What is the InChIKey of 2-(2-cyclohexyl-2-oxoethoxy)benzonitrile?
The InChIKey is HOYWLAPWDLRYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c16-10-13-8-4-5-9-15(13)18-11-14(17)12-6-2-1-3-7-12/h4-5,8-9,12H,1-3,6-7,11H2.
What are the key properties of 2-(2-cyclohexyl-2-oxoethoxy)benzonitrile?
2-(2-cyclohexyl-2-oxoethoxy)benzonitrile has a molecular weight of 243.31 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyl-2-oxoethoxy)benzonitrile is sourced from PubChem (CID 113223270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).