2-(3-fluoro-4-hydroxyphenyl)-5-hydroxy-1-benzofuran-7-carbonitrile

C15H8FNO3 — CID 10308176

IUPAC2-(3-fluoro-4-hydroxyphenyl)-5-hydroxy-1-benzofuran-7-carbonitrile
SMILESN#Cc1cc(O)cc2cc(-c3ccc(O)c(F)c3)oc12
InChIInChI=1S/C15H8FNO3/c16-12-5-8(1-2-13(12)19)14-6-9-3-11(18)4-10(7-17)15(9)20-14/h1-6,18-19H
InChIKeyAFCXUMJPOGOVIU-UHFFFAOYSA-N
MW269.23 g/mol
LogP3.52
Rot. Bonds1

About 2-(3-fluoro-4-hydroxyphenyl)-5-hydroxy-1-benzofuran-7-carbonitrile

2-(3-fluoro-4-hydroxyphenyl)-5-hydroxy-1-benzofuran-7-carbonitrile (PubChem CID 10308176) has the molecular formula C15H8FNO3 and a molecular weight of 269.23 g/mol. Its IUPAC name is 2-(3-fluoro-4-hydroxyphenyl)-5-hydroxy-1-benzofuran-7-carbonitrile.

Molecular Properties

Compound Name2-(3-fluoro-4-hydroxyphenyl)-5-hydroxy-1-benzofuran-7-carbonitrile
PubChem CID10308176
Molecular FormulaC15H8FNO3
Molecular Weight269.23 g/mol
Exact Mass269.05
IUPAC Name2-(3-fluoro-4-hydroxyphenyl)-5-hydroxy-1-benzofuran-7-carbonitrile
SMILESN#Cc1cc(O)cc2cc(-c3ccc(O)c(F)c3)oc12
InChIInChI=1S/C15H8FNO3/c16-12-5-8(1-2-13(12)19)14-6-9-3-11(18)4-10(7-17)15(9)20-14/h1-6,18-19H
InChIKeyAFCXUMJPOGOVIU-UHFFFAOYSA-N
XLogP3.52
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-hydroxyphenyl)-5-hydroxy-1-benzofuran-7-carbonitrile?
The IUPAC name of 2-(3-fluoro-4-hydroxyphenyl)-5-hydroxy-1-benzofuran-7-carbonitrile (CID 10308176) is 2-(3-fluoro-4-hydroxyphenyl)-5-hydroxy-1-benzofuran-7-carbonitrile.
What is the SMILES notation for 2-(3-fluoro-4-hydroxyphenyl)-5-hydroxy-1-benzofuran-7-carbonitrile?
The canonical SMILES for 2-(3-fluoro-4-hydroxyphenyl)-5-hydroxy-1-benzofuran-7-carbonitrile is N#Cc1cc(O)cc2cc(-c3ccc(O)c(F)c3)oc12.
What is the InChIKey of 2-(3-fluoro-4-hydroxyphenyl)-5-hydroxy-1-benzofuran-7-carbonitrile?
The InChIKey is AFCXUMJPOGOVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8FNO3/c16-12-5-8(1-2-13(12)19)14-6-9-3-11(18)4-10(7-17)15(9)20-14/h1-6,18-19H.
What are the key properties of 2-(3-fluoro-4-hydroxyphenyl)-5-hydroxy-1-benzofuran-7-carbonitrile?
2-(3-fluoro-4-hydroxyphenyl)-5-hydroxy-1-benzofuran-7-carbonitrile has a molecular weight of 269.23 g/mol, XLogP of 3.52, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-hydroxyphenyl)-5-hydroxy-1-benzofuran-7-carbonitrile is sourced from PubChem (CID 10308176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).