3-(1-benzofuran-2-yl)benzonitrile

C15H9NO — CID 12624585

IUPAC3-(1-benzofuran-2-yl)benzonitrile
SMILESN#Cc1cccc(-c2cc3ccccc3o2)c1
InChIInChI=1S/C15H9NO/c16-10-11-4-3-6-12(8-11)15-9-13-5-1-2-7-14(13)17-15/h1-9H
InChIKeyZKTUSNDYHIGMQD-UHFFFAOYSA-N
MW219.24 g/mol
LogP3.97
Rot. Bonds1

About 3-(1-benzofuran-2-yl)benzonitrile

3-(1-benzofuran-2-yl)benzonitrile (PubChem CID 12624585) has the molecular formula C15H9NO and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)benzonitrile.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)benzonitrile
PubChem CID12624585
Molecular FormulaC15H9NO
Molecular Weight219.24 g/mol
Exact Mass219.07
IUPAC Name3-(1-benzofuran-2-yl)benzonitrile
SMILESN#Cc1cccc(-c2cc3ccccc3o2)c1
InChIInChI=1S/C15H9NO/c16-10-11-4-3-6-12(8-11)15-9-13-5-1-2-7-14(13)17-15/h1-9H
InChIKeyZKTUSNDYHIGMQD-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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Related Compounds

2-(4-phenylphenyl)-1-benzofuran-5-carbonitrile
CID 135058554
3-(5-methylfuran-2-yl)benzonitrile
CID 4058362
2-[3-(4-chlorophenyl)phenyl]-1-benzofuran
CID 170402405
4-[3-[4-[3-(1-benzofuran-2-yl)phenyl]-6-(4-heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaenyl)-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 167412075
3-(furan-2-yl)benzonitrile
CID 4163731
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-4-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398057
3-(1-benzofuran-2-yl)-N-phenyl-N-(4-phenylphenyl)aniline
CID 170398679
3-(1-benzofuran-2-yl)-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 170398602
N-[4-[3-(1-benzofuran-2-yl)phenyl]phenyl]-N,4-diphenylaniline
CID 170526268
2-(4-nitrophenyl)-1-benzofuran
CID 638459
2-[4-(3-methylphenyl)phenyl]-1-benzofuran
CID 132966930
3-(6-naphtho[2,1-b][1]benzofuran-10-ylnaphthalen-2-yl)benzonitrile
CID 70847284

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)benzonitrile?
The IUPAC name of 3-(1-benzofuran-2-yl)benzonitrile (CID 12624585) is 3-(1-benzofuran-2-yl)benzonitrile.
What is the SMILES notation for 3-(1-benzofuran-2-yl)benzonitrile?
The canonical SMILES for 3-(1-benzofuran-2-yl)benzonitrile is N#Cc1cccc(-c2cc3ccccc3o2)c1.
What is the InChIKey of 3-(1-benzofuran-2-yl)benzonitrile?
The InChIKey is ZKTUSNDYHIGMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO/c16-10-11-4-3-6-12(8-11)15-9-13-5-1-2-7-14(13)17-15/h1-9H.
What are the key properties of 3-(1-benzofuran-2-yl)benzonitrile?
3-(1-benzofuran-2-yl)benzonitrile 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-(1-benzofuran-2-yl)benzonitrile is sourced from PubChem (CID 12624585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).