(Z)-2-(3,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enenitrile

C19H19NO3 — CID 134136619

IUPAC(Z)-2-(3,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enenitrile
SMILESCCOc1ccc(/C=C(\C#N)c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C19H19NO3/c1-4-23-17-7-5-14(6-8-17)9-16(13-20)15-10-18(21-2)12-19(11-15)22-3/h5-12H,4H2,1-3H3/b16-9+
InChIKeyIUOQAAZBAMFGSR-CXUHLZMHSA-N
MW309.37 g/mol
LogP4.17
Rot. Bonds6

About (Z)-2-(3,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enenitrile

(Z)-2-(3,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enenitrile (PubChem CID 134136619) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is (Z)-2-(3,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(3,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enenitrile
PubChem CID134136619
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name(Z)-2-(3,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enenitrile
SMILESCCOc1ccc(/C=C(\C#N)c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C19H19NO3/c1-4-23-17-7-5-14(6-8-17)9-16(13-20)15-10-18(21-2)12-19(11-15)22-3/h5-12H,4H2,1-3H3/b16-9+
InChIKeyIUOQAAZBAMFGSR-CXUHLZMHSA-N
XLogP4.17
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-2-(3,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enenitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(3,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enenitrile?
The IUPAC name of (Z)-2-(3,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enenitrile (CID 134136619) is (Z)-2-(3,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-(3,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-2-(3,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enenitrile is CCOc1ccc(/C=C(\C#N)c2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of (Z)-2-(3,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enenitrile?
The InChIKey is IUOQAAZBAMFGSR-CXUHLZMHSA-N. The full InChI is InChI=1S/C19H19NO3/c1-4-23-17-7-5-14(6-8-17)9-16(13-20)15-10-18(21-2)12-19(11-15)22-3/h5-12H,4H2,1-3H3/b16-9+.
What are the key properties of (Z)-2-(3,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enenitrile?
(Z)-2-(3,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enenitrile has a molecular weight of 309.37 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3,5-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enenitrile is sourced from PubChem (CID 134136619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).