(Z)-2-(2-benzofuran-1-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile

C19H15NO3 — CID 67228333

IUPAC(Z)-2-(2-benzofuran-1-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile
SMILESCOc1ccc(/C=C(/C#N)c2occ3ccccc23)cc1OC
InChIInChI=1S/C19H15NO3/c1-21-17-8-7-13(10-18(17)22-2)9-15(11-20)19-16-6-4-3-5-14(16)12-23-19/h3-10,12H,1-2H3/b15-9-
InChIKeyQMZFSPMJWIQDKS-DHDCSXOGSA-N
MW305.33 g/mol
LogP4.51
Rot. Bonds4

About (Z)-2-(2-benzofuran-1-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile

(Z)-2-(2-benzofuran-1-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile (PubChem CID 67228333) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is (Z)-2-(2-benzofuran-1-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(2-benzofuran-1-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile
PubChem CID67228333
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name(Z)-2-(2-benzofuran-1-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile
SMILESCOc1ccc(/C=C(/C#N)c2occ3ccccc23)cc1OC
InChIInChI=1S/C19H15NO3/c1-21-17-8-7-13(10-18(17)22-2)9-15(11-20)19-16-6-4-3-5-14(16)12-23-19/h3-10,12H,1-2H3/b15-9-
InChIKeyQMZFSPMJWIQDKS-DHDCSXOGSA-N
XLogP4.51
TPSA55.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-2-(2-benzofuran-1-yl)-3-(3,4-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

Related Compounds

2-(2-benzofuran-1-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile
CID 67228335
(Z)-3-(3,4-dimethoxyphenyl)-2-pyridin-4-ylprop-2-enenitrile
CID 132529297
3-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)prop-2-enenitrile
CID 2966659
(E)-2-(3-chlorophenyl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile
CID 124582758
(E)-2-(2-fluorophenyl)-3-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]prop-2-enenitrile
CID 124548966
(Z)-3-(3,4-dimethoxyphenyl)-2-pyridin-3-ylprop-2-enenitrile
CID 5468216
(Z)-3-(3,4-dimethoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 20851239
[4-[(Z)-2-cyano-2-phenylethenyl]-2-methoxyphenyl] benzoate
CID 19170622
(Z)-3-(3,4-dimethoxyphenyl)-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)prop-2-enenitrile
CID 47073004
(E)-3-(3,4-dimethoxyphenyl)-2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)prop-2-enenitrile
CID 9212599
3-(4-butan-2-yloxy-3-methoxyphenyl)-2-(2-chlorophenyl)prop-2-enenitrile
CID 3366719
(E)-3-[3-methoxy-4-(2-phenoxyethoxy)phenyl]-2-phenylprop-2-enenitrile
CID 7126688

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2-benzofuran-1-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile?
The IUPAC name of (Z)-2-(2-benzofuran-1-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile (CID 67228333) is (Z)-2-(2-benzofuran-1-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-(2-benzofuran-1-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-2-(2-benzofuran-1-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile is COc1ccc(/C=C(/C#N)c2occ3ccccc23)cc1OC.
What is the InChIKey of (Z)-2-(2-benzofuran-1-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile?
The InChIKey is QMZFSPMJWIQDKS-DHDCSXOGSA-N. The full InChI is InChI=1S/C19H15NO3/c1-21-17-8-7-13(10-18(17)22-2)9-15(11-20)19-16-6-4-3-5-14(16)12-23-19/h3-10,12H,1-2H3/b15-9-.
What are the key properties of (Z)-2-(2-benzofuran-1-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile?
(Z)-2-(2-benzofuran-1-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile has a molecular weight of 305.33 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2-benzofuran-1-yl)-3-(3,4-dimethoxyphenyl)prop-2-enenitrile is sourced from PubChem (CID 67228333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).