3-[(Z)-1,2-bis(2-methoxyphenyl)ethenyl]benzonitrile

C23H19NO2 — CID 121493676

IUPAC3-[(Z)-1,2-bis(2-methoxyphenyl)ethenyl]benzonitrile
SMILESCOc1ccccc1/C=C(/c1cccc(C#N)c1)c1ccccc1OC
InChIInChI=1S/C23H19NO2/c1-25-22-12-5-3-9-19(22)15-21(18-10-7-8-17(14-18)16-24)20-11-4-6-13-23(20)26-2/h3-15H,1-2H3/b21-15-
InChIKeyALGBBPLKGSMOJT-QNGOZBTKSA-N
MW341.41 g/mol
LogP5.16
Rot. Bonds5

About 3-[(Z)-1,2-bis(2-methoxyphenyl)ethenyl]benzonitrile

3-[(Z)-1,2-bis(2-methoxyphenyl)ethenyl]benzonitrile (PubChem CID 121493676) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-[(Z)-1,2-bis(2-methoxyphenyl)ethenyl]benzonitrile.

Molecular Properties

Compound Name3-[(Z)-1,2-bis(2-methoxyphenyl)ethenyl]benzonitrile
PubChem CID121493676
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Name3-[(Z)-1,2-bis(2-methoxyphenyl)ethenyl]benzonitrile
SMILESCOc1ccccc1/C=C(/c1cccc(C#N)c1)c1ccccc1OC
InChIInChI=1S/C23H19NO2/c1-25-22-12-5-3-9-19(22)15-21(18-10-7-8-17(14-18)16-24)20-11-4-6-13-23(20)26-2/h3-15H,1-2H3/b21-15-
InChIKeyALGBBPLKGSMOJT-QNGOZBTKSA-N
XLogP5.16
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[(Z)-1,2-bis(2-methoxyphenyl)ethenyl]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]benzonitrile
CID 2243607
3-[4-(2-methoxybenzoyl)piperazine-1-carbonyl]benzonitrile
CID 110818196
(E)-2-[3-[(Z)-1-cyano-2-(2-methoxyphenyl)ethenyl]phenyl]-3-(2-methoxyphenyl)prop-2-enenitrile
CID 101032566
(E)-N-(3-cyanophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 2707623
(E)-3-(2-methoxyphenyl)-2-(4-methylphenyl)prop-2-enenitrile
CID 21374748
(E)-2-(3,4-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enenitrile
CID 102248892
3-[1-cyano-2-(3-methoxy-4-phenylmethoxyphenyl)ethenyl]benzonitrile
CID 4304437
3-chloro-3-(2-methoxyphenyl)prop-2-enenitrile
CID 74864079
3-[hydroxy-(2-methoxyphenyl)methyl]benzonitrile
CID 115481118
3-cyano-N-[4-(2-methoxyphenoxy)but-2-ynyl]benzamide
CID 71802933
3-(azanylidyne(113C)methyl)(13C)benzoic acid
CID 76973042
[2-(2-methoxyanilino)-2-oxoethyl] 3-cyanobenzoate
CID 2626277

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-1,2-bis(2-methoxyphenyl)ethenyl]benzonitrile?
The IUPAC name of 3-[(Z)-1,2-bis(2-methoxyphenyl)ethenyl]benzonitrile (CID 121493676) is 3-[(Z)-1,2-bis(2-methoxyphenyl)ethenyl]benzonitrile.
What is the SMILES notation for 3-[(Z)-1,2-bis(2-methoxyphenyl)ethenyl]benzonitrile?
The canonical SMILES for 3-[(Z)-1,2-bis(2-methoxyphenyl)ethenyl]benzonitrile is COc1ccccc1/C=C(/c1cccc(C#N)c1)c1ccccc1OC.
What is the InChIKey of 3-[(Z)-1,2-bis(2-methoxyphenyl)ethenyl]benzonitrile?
The InChIKey is ALGBBPLKGSMOJT-QNGOZBTKSA-N. The full InChI is InChI=1S/C23H19NO2/c1-25-22-12-5-3-9-19(22)15-21(18-10-7-8-17(14-18)16-24)20-11-4-6-13-23(20)26-2/h3-15H,1-2H3/b21-15-.
What are the key properties of 3-[(Z)-1,2-bis(2-methoxyphenyl)ethenyl]benzonitrile?
3-[(Z)-1,2-bis(2-methoxyphenyl)ethenyl]benzonitrile has a molecular weight of 341.41 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-1,2-bis(2-methoxyphenyl)ethenyl]benzonitrile is sourced from PubChem (CID 121493676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).