2-chloro-6-(2-cyclohexylethoxy)benzonitrile

C15H18ClNO — CID 114191198

IUPAC2-chloro-6-(2-cyclohexylethoxy)benzonitrile
SMILESN#Cc1c(Cl)cccc1OCCC1CCCCC1
InChIInChI=1S/C15H18ClNO/c16-14-7-4-8-15(13(14)11-17)18-10-9-12-5-2-1-3-6-12/h4,7-8,12H,1-3,5-6,9-10H2
InChIKeySNWZSIPAPGTJMI-UHFFFAOYSA-N
MW263.77 g/mol
LogP4.56
Rot. Bonds4

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

2-chloro-6-(2-cyclohexylethoxy)benzonitrile (PubChem CID 114191198) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-chloro-6-(2-cyclohexylethoxy)benzonitrile.

Molecular Properties

Compound Name2-chloro-6-(2-cyclohexylethoxy)benzonitrile
PubChem CID114191198
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name2-chloro-6-(2-cyclohexylethoxy)benzonitrile
SMILESN#Cc1c(Cl)cccc1OCCC1CCCCC1
InChIInChI=1S/C15H18ClNO/c16-14-7-4-8-15(13(14)11-17)18-10-9-12-5-2-1-3-6-12/h4,7-8,12H,1-3,5-6,9-10H2
InChIKeySNWZSIPAPGTJMI-UHFFFAOYSA-N
XLogP4.56
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-6-(2-cyclobutylethoxy)benzonitrile
CID 106201553
2-chloro-6-(2-chloroethoxy)benzonitrile
CID 130564225
2-(2-cyclobutylethoxy)-6-methylsulfanylbenzonitrile
CID 114157448
2-(4-cyclohexylbutoxy)-6-fluorobenzonitrile
CID 69357808
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
1,4-dichloro-2-(2-cyclohexylethoxy)benzene
CID 114193047
2-chloro-6-(2-ethylsulfonylethoxy)benzonitrile
CID 113277263
2-chloro-6-[(1-cyclopentylpyrazol-3-yl)methoxy]benzonitrile
CID 80963175
1-(2-cyclohexylethoxy)-2-iodobenzene
CID 155907429

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-cyclohexylethoxy)benzonitrile?
The IUPAC name of 2-chloro-6-(2-cyclohexylethoxy)benzonitrile (CID 114191198) is 2-chloro-6-(2-cyclohexylethoxy)benzonitrile.
What is the SMILES notation for 2-chloro-6-(2-cyclohexylethoxy)benzonitrile?
The canonical SMILES for 2-chloro-6-(2-cyclohexylethoxy)benzonitrile is N#Cc1c(Cl)cccc1OCCC1CCCCC1.
What is the InChIKey of 2-chloro-6-(2-cyclohexylethoxy)benzonitrile?
The InChIKey is SNWZSIPAPGTJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c16-14-7-4-8-15(13(14)11-17)18-10-9-12-5-2-1-3-6-12/h4,7-8,12H,1-3,5-6,9-10H2.
What are the key properties of 2-chloro-6-(2-cyclohexylethoxy)benzonitrile?
2-chloro-6-(2-cyclohexylethoxy)benzonitrile has a molecular weight of 263.77 g/mol, XLogP of 4.56, 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-cyclohexylethoxy)benzonitrile is sourced from PubChem (CID 114191198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).