2-[2-(3-fluoro-4-hydroxyphenyl)-5-hydroxy-1-benzofuran-7-yl]acetonitrile

C16H10FNO3 — CID 10192978

IUPAC2-[2-(3-fluoro-4-hydroxyphenyl)-5-hydroxy-1-benzofuran-7-yl]acetonitrile
SMILESN#CCc1cc(O)cc2cc(-c3ccc(O)c(F)c3)oc12
InChIInChI=1S/C16H10FNO3/c17-13-7-9(1-2-14(13)20)15-8-11-6-12(19)5-10(3-4-18)16(11)21-15/h1-2,5-8,19-20H,3H2
InChIKeyFDDPFAVJBCQYPL-UHFFFAOYSA-N
MW283.26 g/mol
LogP3.72
Rot. Bonds2

About 2-[2-(3-fluoro-4-hydroxyphenyl)-5-hydroxy-1-benzofuran-7-yl]acetonitrile

2-[2-(3-fluoro-4-hydroxyphenyl)-5-hydroxy-1-benzofuran-7-yl]acetonitrile (PubChem CID 10192978) has the molecular formula C16H10FNO3 and a molecular weight of 283.26 g/mol. Its IUPAC name is 2-[2-(3-fluoro-4-hydroxyphenyl)-5-hydroxy-1-benzofuran-7-yl]acetonitrile.

Molecular Properties

Compound Name2-[2-(3-fluoro-4-hydroxyphenyl)-5-hydroxy-1-benzofuran-7-yl]acetonitrile
PubChem CID10192978
Molecular FormulaC16H10FNO3
Molecular Weight283.26 g/mol
Exact Mass283.06
IUPAC Name2-[2-(3-fluoro-4-hydroxyphenyl)-5-hydroxy-1-benzofuran-7-yl]acetonitrile
SMILESN#CCc1cc(O)cc2cc(-c3ccc(O)c(F)c3)oc12
InChIInChI=1S/C16H10FNO3/c17-13-7-9(1-2-14(13)20)15-8-11-6-12(19)5-10(3-4-18)16(11)21-15/h1-2,5-8,19-20H,3H2
InChIKeyFDDPFAVJBCQYPL-UHFFFAOYSA-N
XLogP3.72
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(3-fluoro-4-hydroxyphenyl)-5-hydroxy-1-benzofuran-7-yl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluoro-4-hydroxyphenyl)-5-hydroxy-1-benzofuran-7-yl]acetonitrile?
The IUPAC name of 2-[2-(3-fluoro-4-hydroxyphenyl)-5-hydroxy-1-benzofuran-7-yl]acetonitrile (CID 10192978) is 2-[2-(3-fluoro-4-hydroxyphenyl)-5-hydroxy-1-benzofuran-7-yl]acetonitrile.
What is the SMILES notation for 2-[2-(3-fluoro-4-hydroxyphenyl)-5-hydroxy-1-benzofuran-7-yl]acetonitrile?
The canonical SMILES for 2-[2-(3-fluoro-4-hydroxyphenyl)-5-hydroxy-1-benzofuran-7-yl]acetonitrile is N#CCc1cc(O)cc2cc(-c3ccc(O)c(F)c3)oc12.
What is the InChIKey of 2-[2-(3-fluoro-4-hydroxyphenyl)-5-hydroxy-1-benzofuran-7-yl]acetonitrile?
The InChIKey is FDDPFAVJBCQYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FNO3/c17-13-7-9(1-2-14(13)20)15-8-11-6-12(19)5-10(3-4-18)16(11)21-15/h1-2,5-8,19-20H,3H2.
What are the key properties of 2-[2-(3-fluoro-4-hydroxyphenyl)-5-hydroxy-1-benzofuran-7-yl]acetonitrile?
2-[2-(3-fluoro-4-hydroxyphenyl)-5-hydroxy-1-benzofuran-7-yl]acetonitrile has a molecular weight of 283.26 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluoro-4-hydroxyphenyl)-5-hydroxy-1-benzofuran-7-yl]acetonitrile is sourced from PubChem (CID 10192978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).