2-chloro-5-cyclohexyloxybenzonitrile

C13H14ClNO — CID 144584681

IUPAC2-chloro-5-cyclohexyloxybenzonitrile
SMILESN#Cc1cc(OC2CCCCC2)ccc1Cl
InChIInChI=1S/C13H14ClNO/c14-13-7-6-12(8-10(13)9-15)16-11-4-2-1-3-5-11/h6-8,11H,1-5H2
InChIKeyAPBHGGRBOSXXCM-UHFFFAOYSA-N
MW235.71 g/mol
LogP3.92
Rot. Bonds2

About 2-chloro-5-cyclohexyloxybenzonitrile

2-chloro-5-cyclohexyloxybenzonitrile (PubChem CID 144584681) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 2-chloro-5-cyclohexyloxybenzonitrile.

Molecular Properties

Compound Name2-chloro-5-cyclohexyloxybenzonitrile
PubChem CID144584681
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name2-chloro-5-cyclohexyloxybenzonitrile
SMILESN#Cc1cc(OC2CCCCC2)ccc1Cl
InChIInChI=1S/C13H14ClNO/c14-13-7-6-12(8-10(13)9-15)16-11-4-2-1-3-5-11/h6-8,11H,1-5H2
InChIKeyAPBHGGRBOSXXCM-UHFFFAOYSA-N
XLogP3.92
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-chloro-4-cyclopentyloxybenzonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyclohexyloxybenzonitrile?
The IUPAC name of 2-chloro-5-cyclohexyloxybenzonitrile (CID 144584681) is 2-chloro-5-cyclohexyloxybenzonitrile.
What is the SMILES notation for 2-chloro-5-cyclohexyloxybenzonitrile?
The canonical SMILES for 2-chloro-5-cyclohexyloxybenzonitrile is N#Cc1cc(OC2CCCCC2)ccc1Cl.
What is the InChIKey of 2-chloro-5-cyclohexyloxybenzonitrile?
The InChIKey is APBHGGRBOSXXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c14-13-7-6-12(8-10(13)9-15)16-11-4-2-1-3-5-11/h6-8,11H,1-5H2.
What are the key properties of 2-chloro-5-cyclohexyloxybenzonitrile?
2-chloro-5-cyclohexyloxybenzonitrile has a molecular weight of 235.71 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-cyclohexyloxybenzonitrile is sourced from PubChem (CID 144584681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).