5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbonitrile

C15H9NO3 — CID 656952

IUPAC5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbonitrile
SMILESN#Cc1cc(O)cc2cc(-c3ccc(O)cc3)oc12
InChIInChI=1S/C15H9NO3/c16-8-11-6-13(18)5-10-7-14(19-15(10)11)9-1-3-12(17)4-2-9/h1-7,17-18H
InChIKeyGGEKOZPXKBYLNK-UHFFFAOYSA-N
MW251.24 g/mol
LogP3.38
Rot. Bonds1

About 5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbonitrile

5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbonitrile (PubChem CID 656952) has the molecular formula C15H9NO3 and a molecular weight of 251.24 g/mol. Its IUPAC name is 5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbonitrile.

Molecular Properties

Compound Name5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbonitrile
PubChem CID656952
Molecular FormulaC15H9NO3
Molecular Weight251.24 g/mol
Exact Mass251.06
IUPAC Name5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbonitrile
SMILESN#Cc1cc(O)cc2cc(-c3ccc(O)cc3)oc12
InChIInChI=1S/C15H9NO3/c16-8-11-6-13(18)5-10-7-14(19-15(10)11)9-1-3-12(17)4-2-9/h1-7,17-18H
InChIKeyGGEKOZPXKBYLNK-UHFFFAOYSA-N
XLogP3.38
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbonitrile?
The IUPAC name of 5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbonitrile (CID 656952) is 5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbonitrile.
What is the SMILES notation for 5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbonitrile?
The canonical SMILES for 5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbonitrile is N#Cc1cc(O)cc2cc(-c3ccc(O)cc3)oc12.
What is the InChIKey of 5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbonitrile?
The InChIKey is GGEKOZPXKBYLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9NO3/c16-8-11-6-13(18)5-10-7-14(19-15(10)11)9-1-3-12(17)4-2-9/h1-7,17-18H.
What are the key properties of 5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbonitrile?
5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbonitrile has a molecular weight of 251.24 g/mol, XLogP of 3.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(4-hydroxyphenyl)-1-benzofuran-7-carbonitrile is sourced from PubChem (CID 656952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).