2-[3-(5-hydroxy-2,3-dihydro-1-benzofuran-6-yl)prop-1-enyl]benzonitrile

C18H15NO2 — CID 54040786

IUPAC2-[3-(5-hydroxy-2,3-dihydro-1-benzofuran-6-yl)prop-1-enyl]benzonitrile
SMILESN#Cc1ccccc1C=CCc1cc2c(cc1O)CCO2
InChIInChI=1S/C18H15NO2/c19-12-16-5-2-1-4-13(16)6-3-7-14-11-18-15(8-9-21-18)10-17(14)20/h1-6,10-11,20H,7-9H2
InChIKeyLMEIZRRORLFDJP-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.45
Rot. Bonds3

About 2-[3-(5-hydroxy-2,3-dihydro-1-benzofuran-6-yl)prop-1-enyl]benzonitrile

2-[3-(5-hydroxy-2,3-dihydro-1-benzofuran-6-yl)prop-1-enyl]benzonitrile (PubChem CID 54040786) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-[3-(5-hydroxy-2,3-dihydro-1-benzofuran-6-yl)prop-1-enyl]benzonitrile.

Molecular Properties

Compound Name2-[3-(5-hydroxy-2,3-dihydro-1-benzofuran-6-yl)prop-1-enyl]benzonitrile
PubChem CID54040786
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name2-[3-(5-hydroxy-2,3-dihydro-1-benzofuran-6-yl)prop-1-enyl]benzonitrile
SMILESN#Cc1ccccc1C=CCc1cc2c(cc1O)CCO2
InChIInChI=1S/C18H15NO2/c19-12-16-5-2-1-4-13(16)6-3-7-14-11-18-15(8-9-21-18)10-17(14)20/h1-6,10-11,20H,7-9H2
InChIKeyLMEIZRRORLFDJP-UHFFFAOYSA-N
XLogP3.45
TPSA53.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(5-hydroxy-2,3-dihydro-1-benzofuran-6-yl)prop-1-enyl]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

6-prop-2-enyl-2,3-dihydro-1-benzofuran-5-ol
CID 14484886
6-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-5-ol
CID 14484893
methyl 2-[(E)-3-(5-phenylmethoxy-2,3-dihydro-1-benzofuran-6-yl)prop-1-enyl]benzoate
CID 14397657
2-(4-methylpent-1-enyl)benzonitrile
CID 174854494
(E)-1-(2,3-dihydro-1-benzofuran-5-yl)-3-(2-hydroxyphenyl)prop-2-en-1-one
CID 170838343
2-(2,3-dihydro-1-benzofuran-5-yl)-5-hydroxypyridine-4-carbonitrile
CID 116864630
3-hydroxy-4-[(E)-3-phenylprop-2-enyl]benzonitrile
CID 162361494
5-[(E)-2-[6-[(E)-2-(6-hydroxy-2,3-dihydro-1-benzofuran-5-yl)ethenyl]-1-(2,2,2-trifluoroethyl)pyridin-1-ium-2-yl]ethenyl]-2,3-dihydro-1-benzofuran-6-ol
CID 89189224
2-[2-(dimethylamino)ethenyl]benzonitrile
CID 54125819
2-[(E)-3-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)prop-1-enyl]phenol
CID 22226232
6-[3-[3-(2-hydroxyethyl)phenoxy]propyl]-2,3-dihydro-1-benzofuran-5-ol
CID 14484910
2-[(E)-3-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-3-oxoprop-1-enyl]benzonitrile
CID 41311295

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-hydroxy-2,3-dihydro-1-benzofuran-6-yl)prop-1-enyl]benzonitrile?
The IUPAC name of 2-[3-(5-hydroxy-2,3-dihydro-1-benzofuran-6-yl)prop-1-enyl]benzonitrile (CID 54040786) is 2-[3-(5-hydroxy-2,3-dihydro-1-benzofuran-6-yl)prop-1-enyl]benzonitrile.
What is the SMILES notation for 2-[3-(5-hydroxy-2,3-dihydro-1-benzofuran-6-yl)prop-1-enyl]benzonitrile?
The canonical SMILES for 2-[3-(5-hydroxy-2,3-dihydro-1-benzofuran-6-yl)prop-1-enyl]benzonitrile is N#Cc1ccccc1C=CCc1cc2c(cc1O)CCO2.
What is the InChIKey of 2-[3-(5-hydroxy-2,3-dihydro-1-benzofuran-6-yl)prop-1-enyl]benzonitrile?
The InChIKey is LMEIZRRORLFDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c19-12-16-5-2-1-4-13(16)6-3-7-14-11-18-15(8-9-21-18)10-17(14)20/h1-6,10-11,20H,7-9H2.
What are the key properties of 2-[3-(5-hydroxy-2,3-dihydro-1-benzofuran-6-yl)prop-1-enyl]benzonitrile?
2-[3-(5-hydroxy-2,3-dihydro-1-benzofuran-6-yl)prop-1-enyl]benzonitrile has a molecular weight of 277.32 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-hydroxy-2,3-dihydro-1-benzofuran-6-yl)prop-1-enyl]benzonitrile is sourced from PubChem (CID 54040786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).