2-[4-(1-benzofuran-6-yl)phenyl]isoindole

C22H15NO — CID 166715458

IUPAC2-[4-(1-benzofuran-6-yl)phenyl]isoindole
SMILESc1ccc2cn(-c3ccc(-c4ccc5ccoc5c4)cc3)cc2c1
InChIInChI=1S/C22H15NO/c1-2-4-20-15-23(14-19(20)3-1)21-9-7-16(8-10-21)18-6-5-17-11-12-24-22(17)13-18/h1-15H
InChIKeyQRJGREKXEZCUSQ-UHFFFAOYSA-N
MW309.37 g/mol
LogP6.04
Rot. Bonds2

About 2-[4-(1-benzofuran-6-yl)phenyl]isoindole

2-[4-(1-benzofuran-6-yl)phenyl]isoindole (PubChem CID 166715458) has the molecular formula C22H15NO and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[4-(1-benzofuran-6-yl)phenyl]isoindole.

Molecular Properties

Compound Name2-[4-(1-benzofuran-6-yl)phenyl]isoindole
PubChem CID166715458
Molecular FormulaC22H15NO
Molecular Weight309.37 g/mol
Exact Mass309.12
IUPAC Name2-[4-(1-benzofuran-6-yl)phenyl]isoindole
SMILESc1ccc2cn(-c3ccc(-c4ccc5ccoc5c4)cc3)cc2c1
InChIInChI=1S/C22H15NO/c1-2-4-20-15-23(14-19(20)3-1)21-9-7-16(8-10-21)18-6-5-17-11-12-24-22(17)13-18/h1-15H
InChIKeyQRJGREKXEZCUSQ-UHFFFAOYSA-N
XLogP6.04
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.37
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzofuran-6-yl)phenyl]isoindole?
The IUPAC name of 2-[4-(1-benzofuran-6-yl)phenyl]isoindole (CID 166715458) is 2-[4-(1-benzofuran-6-yl)phenyl]isoindole.
What is the SMILES notation for 2-[4-(1-benzofuran-6-yl)phenyl]isoindole?
The canonical SMILES for 2-[4-(1-benzofuran-6-yl)phenyl]isoindole is c1ccc2cn(-c3ccc(-c4ccc5ccoc5c4)cc3)cc2c1.
What is the InChIKey of 2-[4-(1-benzofuran-6-yl)phenyl]isoindole?
The InChIKey is QRJGREKXEZCUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO/c1-2-4-20-15-23(14-19(20)3-1)21-9-7-16(8-10-21)18-6-5-17-11-12-24-22(17)13-18/h1-15H.
What are the key properties of 2-[4-(1-benzofuran-6-yl)phenyl]isoindole?
2-[4-(1-benzofuran-6-yl)phenyl]isoindole has a molecular weight of 309.37 g/mol, XLogP of 6.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzofuran-6-yl)phenyl]isoindole is sourced from PubChem (CID 166715458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).