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

C17H14ClNO2 — CID 876438

IUPAC(Z)-2-(4-chlorophenyl)-3-(2,5-dimethoxyphenyl)prop-2-enenitrile
SMILESCOc1ccc(OC)c(/C=C(\C#N)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H14ClNO2/c1-20-16-7-8-17(21-2)13(10-16)9-14(11-19)12-3-5-15(18)6-4-12/h3-10H,1-2H3/b14-9+
InChIKeyNVOUAJXPRGRKKD-NTEUORMPSA-N
MW299.76 g/mol
LogP4.42
Rot. Bonds4

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

(Z)-2-(4-chlorophenyl)-3-(2,5-dimethoxyphenyl)prop-2-enenitrile (PubChem CID 876438) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is (Z)-2-(4-chlorophenyl)-3-(2,5-dimethoxyphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(4-chlorophenyl)-3-(2,5-dimethoxyphenyl)prop-2-enenitrile
PubChem CID876438
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name(Z)-2-(4-chlorophenyl)-3-(2,5-dimethoxyphenyl)prop-2-enenitrile
SMILESCOc1ccc(OC)c(/C=C(\C#N)c2ccc(Cl)cc2)c1
InChIInChI=1S/C17H14ClNO2/c1-20-16-7-8-17(21-2)13(10-16)9-14(11-19)12-3-5-15(18)6-4-12/h3-10H,1-2H3/b14-9+
InChIKeyNVOUAJXPRGRKKD-NTEUORMPSA-N
XLogP4.42
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.42
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'}

Analyze (Z)-2-(4-chlorophenyl)-3-(2,5-dimethoxyphenyl)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-(4-chlorophenyl)-3-(2,5-dimethoxyphenyl)prop-2-enenitrile?
The IUPAC name of (Z)-2-(4-chlorophenyl)-3-(2,5-dimethoxyphenyl)prop-2-enenitrile (CID 876438) is (Z)-2-(4-chlorophenyl)-3-(2,5-dimethoxyphenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-(4-chlorophenyl)-3-(2,5-dimethoxyphenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-2-(4-chlorophenyl)-3-(2,5-dimethoxyphenyl)prop-2-enenitrile is COc1ccc(OC)c(/C=C(\C#N)c2ccc(Cl)cc2)c1.
What is the InChIKey of (Z)-2-(4-chlorophenyl)-3-(2,5-dimethoxyphenyl)prop-2-enenitrile?
The InChIKey is NVOUAJXPRGRKKD-NTEUORMPSA-N. The full InChI is InChI=1S/C17H14ClNO2/c1-20-16-7-8-17(21-2)13(10-16)9-14(11-19)12-3-5-15(18)6-4-12/h3-10H,1-2H3/b14-9+.
What are the key properties of (Z)-2-(4-chlorophenyl)-3-(2,5-dimethoxyphenyl)prop-2-enenitrile?
(Z)-2-(4-chlorophenyl)-3-(2,5-dimethoxyphenyl)prop-2-enenitrile has a molecular weight of 299.76 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-chlorophenyl)-3-(2,5-dimethoxyphenyl)prop-2-enenitrile is sourced from PubChem (CID 876438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).