4-[(E)-1,2-diphenylethenoxy]benzonitrile

C21H15NO — CID 102486834

IUPAC4-[(E)-1,2-diphenylethenoxy]benzonitrile
SMILESN#Cc1ccc(O/C(=C/c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H15NO/c22-16-18-11-13-20(14-12-18)23-21(19-9-5-2-6-10-19)15-17-7-3-1-4-8-17/h1-15H/b21-15+
InChIKeyGMTWRCUJTQPOLF-RCCKNPSSSA-N
MW297.36 g/mol
LogP5.14
Rot. Bonds4

About 4-[(E)-1,2-diphenylethenoxy]benzonitrile

4-[(E)-1,2-diphenylethenoxy]benzonitrile (PubChem CID 102486834) has the molecular formula C21H15NO and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-[(E)-1,2-diphenylethenoxy]benzonitrile.

Molecular Properties

Compound Name4-[(E)-1,2-diphenylethenoxy]benzonitrile
PubChem CID102486834
Molecular FormulaC21H15NO
Molecular Weight297.36 g/mol
Exact Mass297.12
IUPAC Name4-[(E)-1,2-diphenylethenoxy]benzonitrile
SMILESN#Cc1ccc(O/C(=C/c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H15NO/c22-16-18-11-13-20(14-12-18)23-21(19-9-5-2-6-10-19)15-17-7-3-1-4-8-17/h1-15H/b21-15+
InChIKeyGMTWRCUJTQPOLF-RCCKNPSSSA-N
XLogP5.14
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.36
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[(Z)-2-fluoro-2-phenylethenyl]benzonitrile
CID 141385904
4-[(1Z,4E)-5-(dimethylamino)-3-oxo-1-phenylpenta-1,4-dien-2-yl]oxybenzonitrile
CID 1473655
tribromo-[(Z)-1,2-diphenylethenoxy]germane
CID 132573464
4-[(Z)-1-cyano-3,3,3-trifluoro-1-phenylprop-1-en-2-yl]oxybenzonitrile
CID 6371206
4-[(E)-benzylideneamino]oxybenzonitrile
CID 24974418
CID 10548364
CID 10548364
4-[(E)-2-cyano-3-oxo-3-phenylprop-1-enyl]benzonitrile
CID 5388647
4-[(E)-2-dimethoxyphosphoryl-2-phenylethenyl]benzonitrile
CID 122394359
(4-cyanophenyl) 2-benzamidoacetate
CID 23275633
4-(4-cyanophenoxy)carbothioyloxybenzonitrile
CID 14022579
2-benzamido-3-(4-cyanophenyl)prop-2-enoic acid
CID 4769146
4-[hydroxy(phenoxy)phosphinothioyl]oxybenzonitrile
CID 18783591

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1,2-diphenylethenoxy]benzonitrile?
The IUPAC name of 4-[(E)-1,2-diphenylethenoxy]benzonitrile (CID 102486834) is 4-[(E)-1,2-diphenylethenoxy]benzonitrile.
What is the SMILES notation for 4-[(E)-1,2-diphenylethenoxy]benzonitrile?
The canonical SMILES for 4-[(E)-1,2-diphenylethenoxy]benzonitrile is N#Cc1ccc(O/C(=C/c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-[(E)-1,2-diphenylethenoxy]benzonitrile?
The InChIKey is GMTWRCUJTQPOLF-RCCKNPSSSA-N. The full InChI is InChI=1S/C21H15NO/c22-16-18-11-13-20(14-12-18)23-21(19-9-5-2-6-10-19)15-17-7-3-1-4-8-17/h1-15H/b21-15+.
What are the key properties of 4-[(E)-1,2-diphenylethenoxy]benzonitrile?
4-[(E)-1,2-diphenylethenoxy]benzonitrile has a molecular weight of 297.36 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1,2-diphenylethenoxy]benzonitrile is sourced from PubChem (CID 102486834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).