2-(2-phenylethynyl)-1-benzofuran-3-carbonitrile

C17H9NO — CID 155668194

IUPAC2-(2-phenylethynyl)-1-benzofuran-3-carbonitrile
SMILESN#Cc1c(C#Cc2ccccc2)oc2ccccc12
InChIInChI=1S/C17H9NO/c18-12-15-14-8-4-5-9-16(14)19-17(15)11-10-13-6-2-1-3-7-13/h1-9H
InChIKeySFCFICXTWSEPRD-UHFFFAOYSA-N
MW243.26 g/mol
LogP3.70
Rot. Bonds

About 2-(2-phenylethynyl)-1-benzofuran-3-carbonitrile

2-(2-phenylethynyl)-1-benzofuran-3-carbonitrile (PubChem CID 155668194) has the molecular formula C17H9NO and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-(2-phenylethynyl)-1-benzofuran-3-carbonitrile.

Molecular Properties

Compound Name2-(2-phenylethynyl)-1-benzofuran-3-carbonitrile
PubChem CID155668194
Molecular FormulaC17H9NO
Molecular Weight243.26 g/mol
Exact Mass243.07
IUPAC Name2-(2-phenylethynyl)-1-benzofuran-3-carbonitrile
SMILESN#Cc1c(C#Cc2ccccc2)oc2ccccc12
InChIInChI=1S/C17H9NO/c18-12-15-14-8-4-5-9-16(14)19-17(15)11-10-13-6-2-1-3-7-13/h1-9H
InChIKeySFCFICXTWSEPRD-UHFFFAOYSA-N
XLogP3.70
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(bromomethyl)-1-benzofuran-3-carbonitrile
CID 135156805
3-[(3-methylphenyl)methyl]-2-(2-phenylethynyl)-1-benzofuran
CID 72722742
2,8-bis(2-phenylethynyl)dibenzofuran
CID 5038015
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
2,3,5,6-tetra(carbazol-9-yl)-4-(2-phenylethynyl)benzonitrile
CID 121303121
dibenzofuran;hydrate
CID 70610865
2-phenylethynylbenzene;sulfur dioxide
CID 175266779
3,10,13,20-tetrakis(2-phenylethynyl)pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(20),2,4,6,8,10,12,14,16,18-decaene
CID 71519456
2-phenylethynylbenzene;dihydrochloride
CID 174927104
2-phenylethynylbenzene;hydrofluoride
CID 158259923
2-phenyl-3-[2-[4-(trifluoromethyl)phenyl]ethynyl]-1-benzofuran
CID 138393025
2-amino-6-(2-phenylethynyl)benzonitrile
CID 124707394

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethynyl)-1-benzofuran-3-carbonitrile?
The IUPAC name of 2-(2-phenylethynyl)-1-benzofuran-3-carbonitrile (CID 155668194) is 2-(2-phenylethynyl)-1-benzofuran-3-carbonitrile.
What is the SMILES notation for 2-(2-phenylethynyl)-1-benzofuran-3-carbonitrile?
The canonical SMILES for 2-(2-phenylethynyl)-1-benzofuran-3-carbonitrile is N#Cc1c(C#Cc2ccccc2)oc2ccccc12.
What is the InChIKey of 2-(2-phenylethynyl)-1-benzofuran-3-carbonitrile?
The InChIKey is SFCFICXTWSEPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9NO/c18-12-15-14-8-4-5-9-16(14)19-17(15)11-10-13-6-2-1-3-7-13/h1-9H.
What are the key properties of 2-(2-phenylethynyl)-1-benzofuran-3-carbonitrile?
2-(2-phenylethynyl)-1-benzofuran-3-carbonitrile has a molecular weight of 243.26 g/mol, XLogP of 3.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethynyl)-1-benzofuran-3-carbonitrile is sourced from PubChem (CID 155668194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).