3-phenyl-1-benzofuran-7-carbonitrile

C15H9NO — CID 21319918

IUPAC3-phenyl-1-benzofuran-7-carbonitrile
SMILESN#Cc1cccc2c(-c3ccccc3)coc12
InChIInChI=1S/C15H9NO/c16-9-12-7-4-8-13-14(10-17-15(12)13)11-5-2-1-3-6-11/h1-8,10H
InChIKeyUBIJPTXXMGZTMG-UHFFFAOYSA-N
MW219.24 g/mol
LogP3.97
Rot. Bonds1

About 3-phenyl-1-benzofuran-7-carbonitrile

3-phenyl-1-benzofuran-7-carbonitrile (PubChem CID 21319918) has the molecular formula C15H9NO and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-phenyl-1-benzofuran-7-carbonitrile.

Molecular Properties

Compound Name3-phenyl-1-benzofuran-7-carbonitrile
PubChem CID21319918
Molecular FormulaC15H9NO
Molecular Weight219.24 g/mol
Exact Mass219.07
IUPAC Name3-phenyl-1-benzofuran-7-carbonitrile
SMILESN#Cc1cccc2c(-c3ccccc3)coc12
InChIInChI=1S/C15H9NO/c16-9-12-7-4-8-13-14(10-17-15(12)13)11-5-2-1-3-6-11/h1-8,10H
InChIKeyUBIJPTXXMGZTMG-UHFFFAOYSA-N
XLogP3.97
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-benzofuran-7-carbonitrile?
The IUPAC name of 3-phenyl-1-benzofuran-7-carbonitrile (CID 21319918) is 3-phenyl-1-benzofuran-7-carbonitrile.
What is the SMILES notation for 3-phenyl-1-benzofuran-7-carbonitrile?
The canonical SMILES for 3-phenyl-1-benzofuran-7-carbonitrile is N#Cc1cccc2c(-c3ccccc3)coc12.
What is the InChIKey of 3-phenyl-1-benzofuran-7-carbonitrile?
The InChIKey is UBIJPTXXMGZTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO/c16-9-12-7-4-8-13-14(10-17-15(12)13)11-5-2-1-3-6-11/h1-8,10H.
What are the key properties of 3-phenyl-1-benzofuran-7-carbonitrile?
3-phenyl-1-benzofuran-7-carbonitrile has a molecular weight of 219.24 g/mol, XLogP of 3.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-benzofuran-7-carbonitrile is sourced from PubChem (CID 21319918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).