4-[2-(2-hydroxyethyl)-1-benzofuran-6-yl]benzonitrile

C17H13NO2 — CID 22274471

IUPAC4-[2-(2-hydroxyethyl)-1-benzofuran-6-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3cc(CCO)oc3c2)cc1
InChIInChI=1S/C17H13NO2/c18-11-12-1-3-13(4-2-12)14-5-6-15-9-16(7-8-19)20-17(15)10-14/h1-6,9-10,19H,7-8H2
InChIKeyXXAMVOVCMIQETD-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.51
Rot. Bonds3

About 4-[2-(2-hydroxyethyl)-1-benzofuran-6-yl]benzonitrile

4-[2-(2-hydroxyethyl)-1-benzofuran-6-yl]benzonitrile (PubChem CID 22274471) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-[2-(2-hydroxyethyl)-1-benzofuran-6-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-(2-hydroxyethyl)-1-benzofuran-6-yl]benzonitrile
PubChem CID22274471
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name4-[2-(2-hydroxyethyl)-1-benzofuran-6-yl]benzonitrile
SMILESN#Cc1ccc(-c2ccc3cc(CCO)oc3c2)cc1
InChIInChI=1S/C17H13NO2/c18-11-12-1-3-13(4-2-12)14-5-6-15-9-16(7-8-19)20-17(15)10-14/h1-6,9-10,19H,7-8H2
InChIKeyXXAMVOVCMIQETD-UHFFFAOYSA-N
XLogP3.51
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyethyl)-1-benzofuran-6-yl]benzonitrile?
The IUPAC name of 4-[2-(2-hydroxyethyl)-1-benzofuran-6-yl]benzonitrile (CID 22274471) is 4-[2-(2-hydroxyethyl)-1-benzofuran-6-yl]benzonitrile.
What is the SMILES notation for 4-[2-(2-hydroxyethyl)-1-benzofuran-6-yl]benzonitrile?
The canonical SMILES for 4-[2-(2-hydroxyethyl)-1-benzofuran-6-yl]benzonitrile is N#Cc1ccc(-c2ccc3cc(CCO)oc3c2)cc1.
What is the InChIKey of 4-[2-(2-hydroxyethyl)-1-benzofuran-6-yl]benzonitrile?
The InChIKey is XXAMVOVCMIQETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c18-11-12-1-3-13(4-2-12)14-5-6-15-9-16(7-8-19)20-17(15)10-14/h1-6,9-10,19H,7-8H2.
What are the key properties of 4-[2-(2-hydroxyethyl)-1-benzofuran-6-yl]benzonitrile?
4-[2-(2-hydroxyethyl)-1-benzofuran-6-yl]benzonitrile has a molecular weight of 263.30 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyethyl)-1-benzofuran-6-yl]benzonitrile is sourced from PubChem (CID 22274471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).