4-(2-pyridin-4-ylpropan-2-yloxy)benzonitrile

C15H14N2O — CID 117052708

IUPAC4-(2-pyridin-4-ylpropan-2-yloxy)benzonitrile
SMILESCC(C)(Oc1ccc(C#N)cc1)c1ccncc1
InChIInChI=1S/C15H14N2O/c1-15(2,13-7-9-17-10-8-13)18-14-5-3-12(11-16)4-6-14/h3-10H,1-2H3
InChIKeyMYLOCFQBGMFTDE-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.27
Rot. Bonds3

About 4-(2-pyridin-4-ylpropan-2-yloxy)benzonitrile

4-(2-pyridin-4-ylpropan-2-yloxy)benzonitrile (PubChem CID 117052708) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(2-pyridin-4-ylpropan-2-yloxy)benzonitrile.

Molecular Properties

Compound Name4-(2-pyridin-4-ylpropan-2-yloxy)benzonitrile
PubChem CID117052708
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name4-(2-pyridin-4-ylpropan-2-yloxy)benzonitrile
SMILESCC(C)(Oc1ccc(C#N)cc1)c1ccncc1
InChIInChI=1S/C15H14N2O/c1-15(2,13-7-9-17-10-8-13)18-14-5-3-12(11-16)4-6-14/h3-10H,1-2H3
InChIKeyMYLOCFQBGMFTDE-UHFFFAOYSA-N
XLogP3.27
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(1-methylimidazol-2-yl)propan-2-yloxy]benzonitrile
CID 117052705
4-(2-cyanopropan-2-yloxy)benzonitrile
CID 117052675
ethane;4-pyridin-4-ylbenzonitrile
CID 142098064
4-pyridin-4-ylbenzonitrile
CID 4184629
azanide;pyridine-4-carbonitrile;bis(ruthenium(5+))
CID 22982392
4-[chloro(difluoro)methoxy]benzonitrile
CID 13315043
4-pyrazin-1-ium-1-yloxybenzonitrile
CID 139736989
4-methoxy(13C)benzonitrile
CID 175991125
4-(3-hydroxy-2-methyl-4-pyrazin-2-ylbutan-2-yl)oxybenzonitrile
CID 19895613
4-amino-3-[(2-methyl-2-pyridin-4-ylpropyl)amino]benzonitrile
CID 115127355
4-[[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl-pyridin-4-ylamino]benzonitrile
CID 23508429
4-[1-[(2-methylpropan-2-yl)oxyamino]ethyl]benzonitrile
CID 82721123

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-4-ylpropan-2-yloxy)benzonitrile?
The IUPAC name of 4-(2-pyridin-4-ylpropan-2-yloxy)benzonitrile (CID 117052708) is 4-(2-pyridin-4-ylpropan-2-yloxy)benzonitrile.
What is the SMILES notation for 4-(2-pyridin-4-ylpropan-2-yloxy)benzonitrile?
The canonical SMILES for 4-(2-pyridin-4-ylpropan-2-yloxy)benzonitrile is CC(C)(Oc1ccc(C#N)cc1)c1ccncc1.
What is the InChIKey of 4-(2-pyridin-4-ylpropan-2-yloxy)benzonitrile?
The InChIKey is MYLOCFQBGMFTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-15(2,13-7-9-17-10-8-13)18-14-5-3-12(11-16)4-6-14/h3-10H,1-2H3.
What are the key properties of 4-(2-pyridin-4-ylpropan-2-yloxy)benzonitrile?
4-(2-pyridin-4-ylpropan-2-yloxy)benzonitrile has a molecular weight of 238.29 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-4-ylpropan-2-yloxy)benzonitrile is sourced from PubChem (CID 117052708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).