4-[(Z)-1-cyano-2-(2-phenylmethoxyphenyl)ethenyl]benzonitrile

C23H16N2O — CID 934756

IUPAC4-[(Z)-1-cyano-2-(2-phenylmethoxyphenyl)ethenyl]benzonitrile
SMILESN#C/C(=C\c1ccccc1OCc1ccccc1)c1ccc(C#N)cc1
InChIInChI=1S/C23H16N2O/c24-15-18-10-12-20(13-11-18)22(16-25)14-21-8-4-5-9-23(21)26-17-19-6-2-1-3-7-19/h1-14H,17H2/b22-14+
InChIKeyMKQCIBNTYJPJAW-HYARGMPZSA-N
MW336.39 g/mol
LogP5.20
Rot. Bonds5

About 4-[(Z)-1-cyano-2-(2-phenylmethoxyphenyl)ethenyl]benzonitrile

4-[(Z)-1-cyano-2-(2-phenylmethoxyphenyl)ethenyl]benzonitrile (PubChem CID 934756) has the molecular formula C23H16N2O and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-[(Z)-1-cyano-2-(2-phenylmethoxyphenyl)ethenyl]benzonitrile.

Molecular Properties

Compound Name4-[(Z)-1-cyano-2-(2-phenylmethoxyphenyl)ethenyl]benzonitrile
PubChem CID934756
Molecular FormulaC23H16N2O
Molecular Weight336.39 g/mol
Exact Mass336.13
IUPAC Name4-[(Z)-1-cyano-2-(2-phenylmethoxyphenyl)ethenyl]benzonitrile
SMILESN#C/C(=C\c1ccccc1OCc1ccccc1)c1ccc(C#N)cc1
InChIInChI=1S/C23H16N2O/c24-15-18-10-12-20(13-11-18)22(16-25)14-21-8-4-5-9-23(21)26-17-19-6-2-1-3-7-19/h1-14H,17H2/b22-14+
InChIKeyMKQCIBNTYJPJAW-HYARGMPZSA-N
XLogP5.20
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.39
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile
CID 2952464
(Z)-2-(4-methylphenyl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile
CID 124652517
4-[(Z)-1-cyano-2-[2-[(4-nitrophenyl)methoxy]phenyl]ethenyl]benzonitrile
CID 1303558
(Z)-3-[2-[(4-chlorophenyl)methoxy]phenyl]-2-(4-methylphenyl)prop-2-enenitrile
CID 124652519
(E)-3-[2-(naphthalen-1-ylmethoxy)phenyl]-2-phenylprop-2-enenitrile
CID 126370031
2-[[2-[2-(4-chlorophenyl)-2-cyanoethenyl]phenoxy]methyl]benzonitrile
CID 2953041
(Z)-3-[2-[(3-methoxy-4-phenylmethoxyphenyl)methoxy]phenyl]-2-(4-nitrophenyl)prop-2-enenitrile
CID 6103299
(E)-2-(4-chlorophenyl)-3-[2-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile
CID 126366484
2-(1-methylbenzimidazol-2-yl)-3-(2-phenylmethoxyphenyl)prop-2-enenitrile
CID 4811336
4-[1-cyano-2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]benzoic acid
CID 3555032
3-[1-cyano-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]benzonitrile
CID 4304437
2-(2-chlorophenyl)-3-[2-[(4-iodophenyl)methoxy]phenyl]prop-2-enenitrile
CID 4640498

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-cyano-2-(2-phenylmethoxyphenyl)ethenyl]benzonitrile?
The IUPAC name of 4-[(Z)-1-cyano-2-(2-phenylmethoxyphenyl)ethenyl]benzonitrile (CID 934756) is 4-[(Z)-1-cyano-2-(2-phenylmethoxyphenyl)ethenyl]benzonitrile.
What is the SMILES notation for 4-[(Z)-1-cyano-2-(2-phenylmethoxyphenyl)ethenyl]benzonitrile?
The canonical SMILES for 4-[(Z)-1-cyano-2-(2-phenylmethoxyphenyl)ethenyl]benzonitrile is N#C/C(=C\c1ccccc1OCc1ccccc1)c1ccc(C#N)cc1.
What is the InChIKey of 4-[(Z)-1-cyano-2-(2-phenylmethoxyphenyl)ethenyl]benzonitrile?
The InChIKey is MKQCIBNTYJPJAW-HYARGMPZSA-N. The full InChI is InChI=1S/C23H16N2O/c24-15-18-10-12-20(13-11-18)22(16-25)14-21-8-4-5-9-23(21)26-17-19-6-2-1-3-7-19/h1-14H,17H2/b22-14+.
What are the key properties of 4-[(Z)-1-cyano-2-(2-phenylmethoxyphenyl)ethenyl]benzonitrile?
4-[(Z)-1-cyano-2-(2-phenylmethoxyphenyl)ethenyl]benzonitrile has a molecular weight of 336.39 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-cyano-2-(2-phenylmethoxyphenyl)ethenyl]benzonitrile is sourced from PubChem (CID 934756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).