4-(2-cyano-5-methylcyclohexyl)oxybenzonitrile

C15H16N2O — CID 43292357

IUPAC4-(2-cyano-5-methylcyclohexyl)oxybenzonitrile
SMILESCC1CCC(C#N)C(Oc2ccc(C#N)cc2)C1
InChIInChI=1S/C15H16N2O/c1-11-2-5-13(10-17)15(8-11)18-14-6-3-12(9-16)4-7-14/h3-4,6-7,11,13,15H,2,5,8H2,1H3
InChIKeyLTZBGDBZMXGNQP-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.27
Rot. Bonds2

About 4-(2-cyano-5-methylcyclohexyl)oxybenzonitrile

4-(2-cyano-5-methylcyclohexyl)oxybenzonitrile (PubChem CID 43292357) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-(2-cyano-5-methylcyclohexyl)oxybenzonitrile.

Molecular Properties

Compound Name4-(2-cyano-5-methylcyclohexyl)oxybenzonitrile
PubChem CID43292357
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name4-(2-cyano-5-methylcyclohexyl)oxybenzonitrile
SMILESCC1CCC(C#N)C(Oc2ccc(C#N)cc2)C1
InChIInChI=1S/C15H16N2O/c1-11-2-5-13(10-17)15(8-11)18-14-6-3-12(9-16)4-7-14/h3-4,6-7,11,13,15H,2,5,8H2,1H3
InChIKeyLTZBGDBZMXGNQP-UHFFFAOYSA-N
XLogP3.27
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-cyano-5-methylcyclohexyl)oxybenzonitrile?
The IUPAC name of 4-(2-cyano-5-methylcyclohexyl)oxybenzonitrile (CID 43292357) is 4-(2-cyano-5-methylcyclohexyl)oxybenzonitrile.
What is the SMILES notation for 4-(2-cyano-5-methylcyclohexyl)oxybenzonitrile?
The canonical SMILES for 4-(2-cyano-5-methylcyclohexyl)oxybenzonitrile is CC1CCC(C#N)C(Oc2ccc(C#N)cc2)C1.
What is the InChIKey of 4-(2-cyano-5-methylcyclohexyl)oxybenzonitrile?
The InChIKey is LTZBGDBZMXGNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-11-2-5-13(10-17)15(8-11)18-14-6-3-12(9-16)4-7-14/h3-4,6-7,11,13,15H,2,5,8H2,1H3.
What are the key properties of 4-(2-cyano-5-methylcyclohexyl)oxybenzonitrile?
4-(2-cyano-5-methylcyclohexyl)oxybenzonitrile has a molecular weight of 240.31 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyano-5-methylcyclohexyl)oxybenzonitrile is sourced from PubChem (CID 43292357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).