4-[1-(1-benzofuran-2-yl)-1-hydroxyethyl]benzonitrile

C17H13NO2 — CID 114724519

IUPAC4-[1-(1-benzofuran-2-yl)-1-hydroxyethyl]benzonitrile
SMILESCC(O)(c1ccc(C#N)cc1)c1cc2ccccc2o1
InChIInChI=1S/C17H13NO2/c1-17(19,14-8-6-12(11-18)7-9-14)16-10-13-4-2-3-5-15(13)20-16/h2-10,19H,1H3
InChIKeyVQWXPYVQSLUYGS-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.56
Rot. Bonds2

About 4-[1-(1-benzofuran-2-yl)-1-hydroxyethyl]benzonitrile

4-[1-(1-benzofuran-2-yl)-1-hydroxyethyl]benzonitrile (PubChem CID 114724519) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-[1-(1-benzofuran-2-yl)-1-hydroxyethyl]benzonitrile.

Molecular Properties

Compound Name4-[1-(1-benzofuran-2-yl)-1-hydroxyethyl]benzonitrile
PubChem CID114724519
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name4-[1-(1-benzofuran-2-yl)-1-hydroxyethyl]benzonitrile
SMILESCC(O)(c1ccc(C#N)cc1)c1cc2ccccc2o1
InChIInChI=1S/C17H13NO2/c1-17(19,14-8-6-12(11-18)7-9-14)16-10-13-4-2-3-5-15(13)20-16/h2-10,19H,1H3
InChIKeyVQWXPYVQSLUYGS-UHFFFAOYSA-N
XLogP3.56
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[1-(1-benzofuran-2-yl)-1-hydroxyethyl]benzonitrile 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 4-[1-(1-benzofuran-2-yl)-1-hydroxyethyl]benzonitrile?
The IUPAC name of 4-[1-(1-benzofuran-2-yl)-1-hydroxyethyl]benzonitrile (CID 114724519) is 4-[1-(1-benzofuran-2-yl)-1-hydroxyethyl]benzonitrile.
What is the SMILES notation for 4-[1-(1-benzofuran-2-yl)-1-hydroxyethyl]benzonitrile?
The canonical SMILES for 4-[1-(1-benzofuran-2-yl)-1-hydroxyethyl]benzonitrile is CC(O)(c1ccc(C#N)cc1)c1cc2ccccc2o1.
What is the InChIKey of 4-[1-(1-benzofuran-2-yl)-1-hydroxyethyl]benzonitrile?
The InChIKey is VQWXPYVQSLUYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c1-17(19,14-8-6-12(11-18)7-9-14)16-10-13-4-2-3-5-15(13)20-16/h2-10,19H,1H3.
What are the key properties of 4-[1-(1-benzofuran-2-yl)-1-hydroxyethyl]benzonitrile?
4-[1-(1-benzofuran-2-yl)-1-hydroxyethyl]benzonitrile has a molecular weight of 263.30 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-benzofuran-2-yl)-1-hydroxyethyl]benzonitrile is sourced from PubChem (CID 114724519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).