2-(5-benzyl-1-benzofuran-2-yl)-5-(hydroxymethyl)benzonitrile

C23H17NO2 — CID 67092093

IUPAC2-(5-benzyl-1-benzofuran-2-yl)-5-(hydroxymethyl)benzonitrile
SMILESN#Cc1cc(CO)ccc1-c1cc2cc(Cc3ccccc3)ccc2o1
InChIInChI=1S/C23H17NO2/c24-14-20-12-18(15-25)6-8-21(20)23-13-19-11-17(7-9-22(19)26-23)10-16-4-2-1-3-5-16/h1-9,11-13,25H,10,15H2
InChIKeyCUHDYGHUKVLGFI-UHFFFAOYSA-N
MW339.39 g/mol
LogP5.05
Rot. Bonds4

About 2-(5-benzyl-1-benzofuran-2-yl)-5-(hydroxymethyl)benzonitrile

2-(5-benzyl-1-benzofuran-2-yl)-5-(hydroxymethyl)benzonitrile (PubChem CID 67092093) has the molecular formula C23H17NO2 and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-(5-benzyl-1-benzofuran-2-yl)-5-(hydroxymethyl)benzonitrile.

Molecular Properties

Compound Name2-(5-benzyl-1-benzofuran-2-yl)-5-(hydroxymethyl)benzonitrile
PubChem CID67092093
Molecular FormulaC23H17NO2
Molecular Weight339.39 g/mol
Exact Mass339.13
IUPAC Name2-(5-benzyl-1-benzofuran-2-yl)-5-(hydroxymethyl)benzonitrile
SMILESN#Cc1cc(CO)ccc1-c1cc2cc(Cc3ccccc3)ccc2o1
InChIInChI=1S/C23H17NO2/c24-14-20-12-18(15-25)6-8-21(20)23-13-19-11-17(7-9-22(19)26-23)10-16-4-2-1-3-5-16/h1-9,11-13,25H,10,15H2
InChIKeyCUHDYGHUKVLGFI-UHFFFAOYSA-N
XLogP5.05
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.39
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-benzyl-1-benzofuran-2-yl)-5-(hydroxymethyl)benzonitrile?
The IUPAC name of 2-(5-benzyl-1-benzofuran-2-yl)-5-(hydroxymethyl)benzonitrile (CID 67092093) is 2-(5-benzyl-1-benzofuran-2-yl)-5-(hydroxymethyl)benzonitrile.
What is the SMILES notation for 2-(5-benzyl-1-benzofuran-2-yl)-5-(hydroxymethyl)benzonitrile?
The canonical SMILES for 2-(5-benzyl-1-benzofuran-2-yl)-5-(hydroxymethyl)benzonitrile is N#Cc1cc(CO)ccc1-c1cc2cc(Cc3ccccc3)ccc2o1.
What is the InChIKey of 2-(5-benzyl-1-benzofuran-2-yl)-5-(hydroxymethyl)benzonitrile?
The InChIKey is CUHDYGHUKVLGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO2/c24-14-20-12-18(15-25)6-8-21(20)23-13-19-11-17(7-9-22(19)26-23)10-16-4-2-1-3-5-16/h1-9,11-13,25H,10,15H2.
What are the key properties of 2-(5-benzyl-1-benzofuran-2-yl)-5-(hydroxymethyl)benzonitrile?
2-(5-benzyl-1-benzofuran-2-yl)-5-(hydroxymethyl)benzonitrile has a molecular weight of 339.39 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzyl-1-benzofuran-2-yl)-5-(hydroxymethyl)benzonitrile is sourced from PubChem (CID 67092093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).