2-(4-fluorophenyl)-1-benzofuran-4,6-diol

C14H9FO3 — CID 54590959

IUPAC2-(4-fluorophenyl)-1-benzofuran-4,6-diol
SMILESOc1cc(O)c2cc(-c3ccc(F)cc3)oc2c1
InChIInChI=1S/C14H9FO3/c15-9-3-1-8(2-4-9)13-7-11-12(17)5-10(16)6-14(11)18-13/h1-7,16-17H
InChIKeyCEHNXEQBDAQILS-UHFFFAOYSA-N
MW244.22 g/mol
LogP3.65
Rot. Bonds1

About 2-(4-fluorophenyl)-1-benzofuran-4,6-diol

2-(4-fluorophenyl)-1-benzofuran-4,6-diol (PubChem CID 54590959) has the molecular formula C14H9FO3 and a molecular weight of 244.22 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-benzofuran-4,6-diol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-benzofuran-4,6-diol
PubChem CID54590959
Molecular FormulaC14H9FO3
Molecular Weight244.22 g/mol
Exact Mass244.05
IUPAC Name2-(4-fluorophenyl)-1-benzofuran-4,6-diol
SMILESOc1cc(O)c2cc(-c3ccc(F)cc3)oc2c1
InChIInChI=1S/C14H9FO3/c15-9-3-1-8(2-4-9)13-7-11-12(17)5-10(16)6-14(11)18-13/h1-7,16-17H
InChIKeyCEHNXEQBDAQILS-UHFFFAOYSA-N
XLogP3.65
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-benzofuran-4,6-diol?
The IUPAC name of 2-(4-fluorophenyl)-1-benzofuran-4,6-diol (CID 54590959) is 2-(4-fluorophenyl)-1-benzofuran-4,6-diol.
What is the SMILES notation for 2-(4-fluorophenyl)-1-benzofuran-4,6-diol?
The canonical SMILES for 2-(4-fluorophenyl)-1-benzofuran-4,6-diol is Oc1cc(O)c2cc(-c3ccc(F)cc3)oc2c1.
What is the InChIKey of 2-(4-fluorophenyl)-1-benzofuran-4,6-diol?
The InChIKey is CEHNXEQBDAQILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FO3/c15-9-3-1-8(2-4-9)13-7-11-12(17)5-10(16)6-14(11)18-13/h1-7,16-17H.
What are the key properties of 2-(4-fluorophenyl)-1-benzofuran-4,6-diol?
2-(4-fluorophenyl)-1-benzofuran-4,6-diol has a molecular weight of 244.22 g/mol, XLogP of 3.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-benzofuran-4,6-diol is sourced from PubChem (CID 54590959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).