2-chloro-6-(2-cyclobutylethoxy)benzonitrile

C13H14ClNO — CID 106201553

IUPAC2-chloro-6-(2-cyclobutylethoxy)benzonitrile
SMILESN#Cc1c(Cl)cccc1OCCC1CCC1
InChIInChI=1S/C13H14ClNO/c14-12-5-2-6-13(11(12)9-15)16-8-7-10-3-1-4-10/h2,5-6,10H,1,3-4,7-8H2
InChIKeyODSRYIOIJQUSBO-UHFFFAOYSA-N
MW235.71 g/mol
LogP3.78
Rot. Bonds4

About 2-chloro-6-(2-cyclobutylethoxy)benzonitrile

2-chloro-6-(2-cyclobutylethoxy)benzonitrile (PubChem CID 106201553) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 2-chloro-6-(2-cyclobutylethoxy)benzonitrile.

Molecular Properties

Compound Name2-chloro-6-(2-cyclobutylethoxy)benzonitrile
PubChem CID106201553
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name2-chloro-6-(2-cyclobutylethoxy)benzonitrile
SMILESN#Cc1c(Cl)cccc1OCCC1CCC1
InChIInChI=1S/C13H14ClNO/c14-12-5-2-6-13(11(12)9-15)16-8-7-10-3-1-4-10/h2,5-6,10H,1,3-4,7-8H2
InChIKeyODSRYIOIJQUSBO-UHFFFAOYSA-N
XLogP3.78
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-(2-cyclohexylethoxy)benzonitrile
CID 114191198
2-chloro-6-(2-chloroethoxy)benzonitrile
CID 130564225
2-(2-cyclobutylethoxy)-6-methylsulfanylbenzonitrile
CID 114157448
2-chloro-6-(3-ethoxypropoxy)benzonitrile
CID 79032993
2-(2-cyclopropylethoxy)-6-methylsulfanylbenzonitrile
CID 106201482
2-chloro-6-[2-(2,2,2-trifluoroethoxy)ethoxy]benzonitrile
CID 79035063
2-chloro-6-hexoxybenzonitrile
CID 63513082
2-(4-cyclohexylbutoxy)-6-fluorobenzonitrile
CID 69357808
2-chloro-6-(2-ethylsulfonylethoxy)benzonitrile
CID 113277263
[2-chloro-6-(2-cyclopropylethoxy)phenyl]methanamine
CID 114318452
2-(2-cyclobutylethoxy)-5-fluorobenzonitrile
CID 106201555
2-chloro-6-(2-pyridin-4-ylethoxy)benzonitrile
CID 114322554

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-cyclobutylethoxy)benzonitrile?
The IUPAC name of 2-chloro-6-(2-cyclobutylethoxy)benzonitrile (CID 106201553) is 2-chloro-6-(2-cyclobutylethoxy)benzonitrile.
What is the SMILES notation for 2-chloro-6-(2-cyclobutylethoxy)benzonitrile?
The canonical SMILES for 2-chloro-6-(2-cyclobutylethoxy)benzonitrile is N#Cc1c(Cl)cccc1OCCC1CCC1.
What is the InChIKey of 2-chloro-6-(2-cyclobutylethoxy)benzonitrile?
The InChIKey is ODSRYIOIJQUSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c14-12-5-2-6-13(11(12)9-15)16-8-7-10-3-1-4-10/h2,5-6,10H,1,3-4,7-8H2.
What are the key properties of 2-chloro-6-(2-cyclobutylethoxy)benzonitrile?
2-chloro-6-(2-cyclobutylethoxy)benzonitrile has a molecular weight of 235.71 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-cyclobutylethoxy)benzonitrile is sourced from PubChem (CID 106201553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).