3-(4-methoxyphenyl)-1-benzofuran-5-carbonitrile

C16H11NO2 — CID 155559821

IUPAC3-(4-methoxyphenyl)-1-benzofuran-5-carbonitrile
SMILESCOc1ccc(-c2coc3ccc(C#N)cc23)cc1
InChIInChI=1S/C16H11NO2/c1-18-13-5-3-12(4-6-13)15-10-19-16-7-2-11(9-17)8-14(15)16/h2-8,10H,1H3
InChIKeyVFVIBACTHQVRBE-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.98
Rot. Bonds2

About 3-(4-methoxyphenyl)-1-benzofuran-5-carbonitrile

3-(4-methoxyphenyl)-1-benzofuran-5-carbonitrile (PubChem CID 155559821) has the molecular formula C16H11NO2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-benzofuran-5-carbonitrile.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-benzofuran-5-carbonitrile
PubChem CID155559821
Molecular FormulaC16H11NO2
Molecular Weight249.27 g/mol
Exact Mass249.08
IUPAC Name3-(4-methoxyphenyl)-1-benzofuran-5-carbonitrile
SMILESCOc1ccc(-c2coc3ccc(C#N)cc23)cc1
InChIInChI=1S/C16H11NO2/c1-18-13-5-3-12(4-6-13)15-10-19-16-7-2-11(9-17)8-14(15)16/h2-8,10H,1H3
InChIKeyVFVIBACTHQVRBE-UHFFFAOYSA-N
XLogP3.98
TPSA46.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-methoxyphenyl)-1-benzofuran-5-carbonitrile 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 3-(4-methoxyphenyl)-1-benzofuran-5-carbonitrile?
The IUPAC name of 3-(4-methoxyphenyl)-1-benzofuran-5-carbonitrile (CID 155559821) is 3-(4-methoxyphenyl)-1-benzofuran-5-carbonitrile.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-benzofuran-5-carbonitrile?
The canonical SMILES for 3-(4-methoxyphenyl)-1-benzofuran-5-carbonitrile is COc1ccc(-c2coc3ccc(C#N)cc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-benzofuran-5-carbonitrile?
The InChIKey is VFVIBACTHQVRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2/c1-18-13-5-3-12(4-6-13)15-10-19-16-7-2-11(9-17)8-14(15)16/h2-8,10H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1-benzofuran-5-carbonitrile?
3-(4-methoxyphenyl)-1-benzofuran-5-carbonitrile has a molecular weight of 249.27 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-benzofuran-5-carbonitrile is sourced from PubChem (CID 155559821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).