3-[2-(3-hydroxypropyl)-1-benzofuran-5-yl]benzonitrile

C18H15NO2 — CID 22274607

IUPAC3-[2-(3-hydroxypropyl)-1-benzofuran-5-yl]benzonitrile
SMILESN#Cc1cccc(-c2ccc3oc(CCCO)cc3c2)c1
InChIInChI=1S/C18H15NO2/c19-12-13-3-1-4-14(9-13)15-6-7-18-16(10-15)11-17(21-18)5-2-8-20/h1,3-4,6-7,9-11,20H,2,5,8H2
InChIKeyBZVTXUDFEXUHOZ-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.90
Rot. Bonds4

About 3-[2-(3-hydroxypropyl)-1-benzofuran-5-yl]benzonitrile

3-[2-(3-hydroxypropyl)-1-benzofuran-5-yl]benzonitrile (PubChem CID 22274607) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-[2-(3-hydroxypropyl)-1-benzofuran-5-yl]benzonitrile.

Molecular Properties

Compound Name3-[2-(3-hydroxypropyl)-1-benzofuran-5-yl]benzonitrile
PubChem CID22274607
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name3-[2-(3-hydroxypropyl)-1-benzofuran-5-yl]benzonitrile
SMILESN#Cc1cccc(-c2ccc3oc(CCCO)cc3c2)c1
InChIInChI=1S/C18H15NO2/c19-12-13-3-1-4-14(9-13)15-6-7-18-16(10-15)11-17(21-18)5-2-8-20/h1,3-4,6-7,9-11,20H,2,5,8H2
InChIKeyBZVTXUDFEXUHOZ-UHFFFAOYSA-N
XLogP3.90
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(3-hydroxypropyl)-1-benzofuran-5-yl]benzonitrile 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-butyl-1-benzofuran-5-carbonitrile
CID 69361525
4-[2-(2-hydroxyethyl)-1-benzofuran-6-yl]benzonitrile
CID 22274471
4-[2-(2-methoxyethyl)-1-benzofuran-5-yl]benzonitrile
CID 71415269
3-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)benzonitrile
CID 70847284
3-(2-decyl-1-benzofuran-5-yl)phenol
CID 102136549
3-[[4-[[5-(3-fluorophenyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]methyl]benzonitrile
CID 24736187
(2R)-2-[[5-(3-cyanophenyl)-1-benzofuran-2-yl]methoxycarbonylamino]-3-(4-fluorophenyl)propanoic acid
CID 69428543
N-[3-(1-benzofuran-2-yl)propyl]-3-cyanobenzamide
CID 121020585
3-(1-benzofuran-2-yl)benzonitrile
CID 12624585
2-(4-phenylphenyl)-1-benzofuran-5-carbonitrile
CID 135058554
3-[4-[(5-thiophen-3-yl-1-benzofuran-2-yl)methyl]-1,4-diazepane-1-carbonyl]benzonitrile;hydrochloride
CID 24737302
3-[(5-fluoro-1-benzofuran-2-yl)methylamino]benzonitrile
CID 75440279

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-hydroxypropyl)-1-benzofuran-5-yl]benzonitrile?
The IUPAC name of 3-[2-(3-hydroxypropyl)-1-benzofuran-5-yl]benzonitrile (CID 22274607) is 3-[2-(3-hydroxypropyl)-1-benzofuran-5-yl]benzonitrile.
What is the SMILES notation for 3-[2-(3-hydroxypropyl)-1-benzofuran-5-yl]benzonitrile?
The canonical SMILES for 3-[2-(3-hydroxypropyl)-1-benzofuran-5-yl]benzonitrile is N#Cc1cccc(-c2ccc3oc(CCCO)cc3c2)c1.
What is the InChIKey of 3-[2-(3-hydroxypropyl)-1-benzofuran-5-yl]benzonitrile?
The InChIKey is BZVTXUDFEXUHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c19-12-13-3-1-4-14(9-13)15-6-7-18-16(10-15)11-17(21-18)5-2-8-20/h1,3-4,6-7,9-11,20H,2,5,8H2.
What are the key properties of 3-[2-(3-hydroxypropyl)-1-benzofuran-5-yl]benzonitrile?
3-[2-(3-hydroxypropyl)-1-benzofuran-5-yl]benzonitrile has a molecular weight of 277.32 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-hydroxypropyl)-1-benzofuran-5-yl]benzonitrile is sourced from PubChem (CID 22274607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).