2-chloro-6-(2-ethylcyclohexyl)oxybenzonitrile

C15H18ClNO — CID 55225163

IUPAC2-chloro-6-(2-ethylcyclohexyl)oxybenzonitrile
SMILESCCC1CCCCC1Oc1cccc(Cl)c1C#N
InChIInChI=1S/C15H18ClNO/c1-2-11-6-3-4-8-14(11)18-15-9-5-7-13(16)12(15)10-17/h5,7,9,11,14H,2-4,6,8H2,1H3
InChIKeyPZXSTHZETBVAST-UHFFFAOYSA-N
MW263.77 g/mol
LogP4.56
Rot. Bonds3

About 2-chloro-6-(2-ethylcyclohexyl)oxybenzonitrile

2-chloro-6-(2-ethylcyclohexyl)oxybenzonitrile (PubChem CID 55225163) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-chloro-6-(2-ethylcyclohexyl)oxybenzonitrile.

Molecular Properties

Compound Name2-chloro-6-(2-ethylcyclohexyl)oxybenzonitrile
PubChem CID55225163
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name2-chloro-6-(2-ethylcyclohexyl)oxybenzonitrile
SMILESCCC1CCCCC1Oc1cccc(Cl)c1C#N
InChIInChI=1S/C15H18ClNO/c1-2-11-6-3-4-8-14(11)18-15-9-5-7-13(16)12(15)10-17/h5,7,9,11,14H,2-4,6,8H2,1H3
InChIKeyPZXSTHZETBVAST-UHFFFAOYSA-N
XLogP4.56
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-ethylcyclohexyl)oxybenzonitrile?
The IUPAC name of 2-chloro-6-(2-ethylcyclohexyl)oxybenzonitrile (CID 55225163) is 2-chloro-6-(2-ethylcyclohexyl)oxybenzonitrile.
What is the SMILES notation for 2-chloro-6-(2-ethylcyclohexyl)oxybenzonitrile?
The canonical SMILES for 2-chloro-6-(2-ethylcyclohexyl)oxybenzonitrile is CCC1CCCCC1Oc1cccc(Cl)c1C#N.
What is the InChIKey of 2-chloro-6-(2-ethylcyclohexyl)oxybenzonitrile?
The InChIKey is PZXSTHZETBVAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-2-11-6-3-4-8-14(11)18-15-9-5-7-13(16)12(15)10-17/h5,7,9,11,14H,2-4,6,8H2,1H3.
What are the key properties of 2-chloro-6-(2-ethylcyclohexyl)oxybenzonitrile?
2-chloro-6-(2-ethylcyclohexyl)oxybenzonitrile has a molecular weight of 263.77 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-ethylcyclohexyl)oxybenzonitrile is sourced from PubChem (CID 55225163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).