2-(3-fluoro-4-hydroxyphenyl)-7-methyl-1-benzofuran-5-ol

C15H11FO3 — CID 22221630

IUPAC2-(3-fluoro-4-hydroxyphenyl)-7-methyl-1-benzofuran-5-ol
SMILESCc1cc(O)cc2cc(-c3ccc(O)c(F)c3)oc12
InChIInChI=1S/C15H11FO3/c1-8-4-11(17)5-10-7-14(19-15(8)10)9-2-3-13(18)12(16)6-9/h2-7,17-18H,1H3
InChIKeyYSLYGNKZBSKTIF-UHFFFAOYSA-N
MW258.25 g/mol
LogP3.96
Rot. Bonds1

About 2-(3-fluoro-4-hydroxyphenyl)-7-methyl-1-benzofuran-5-ol

2-(3-fluoro-4-hydroxyphenyl)-7-methyl-1-benzofuran-5-ol (PubChem CID 22221630) has the molecular formula C15H11FO3 and a molecular weight of 258.25 g/mol. Its IUPAC name is 2-(3-fluoro-4-hydroxyphenyl)-7-methyl-1-benzofuran-5-ol.

Molecular Properties

Compound Name2-(3-fluoro-4-hydroxyphenyl)-7-methyl-1-benzofuran-5-ol
PubChem CID22221630
Molecular FormulaC15H11FO3
Molecular Weight258.25 g/mol
Exact Mass258.07
IUPAC Name2-(3-fluoro-4-hydroxyphenyl)-7-methyl-1-benzofuran-5-ol
SMILESCc1cc(O)cc2cc(-c3ccc(O)c(F)c3)oc12
InChIInChI=1S/C15H11FO3/c1-8-4-11(17)5-10-7-14(19-15(8)10)9-2-3-13(18)12(16)6-9/h2-7,17-18H,1H3
InChIKeyYSLYGNKZBSKTIF-UHFFFAOYSA-N
XLogP3.96
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-hydroxyphenyl)-7-methyl-1-benzofuran-5-ol?
The IUPAC name of 2-(3-fluoro-4-hydroxyphenyl)-7-methyl-1-benzofuran-5-ol (CID 22221630) is 2-(3-fluoro-4-hydroxyphenyl)-7-methyl-1-benzofuran-5-ol.
What is the SMILES notation for 2-(3-fluoro-4-hydroxyphenyl)-7-methyl-1-benzofuran-5-ol?
The canonical SMILES for 2-(3-fluoro-4-hydroxyphenyl)-7-methyl-1-benzofuran-5-ol is Cc1cc(O)cc2cc(-c3ccc(O)c(F)c3)oc12.
What is the InChIKey of 2-(3-fluoro-4-hydroxyphenyl)-7-methyl-1-benzofuran-5-ol?
The InChIKey is YSLYGNKZBSKTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO3/c1-8-4-11(17)5-10-7-14(19-15(8)10)9-2-3-13(18)12(16)6-9/h2-7,17-18H,1H3.
What are the key properties of 2-(3-fluoro-4-hydroxyphenyl)-7-methyl-1-benzofuran-5-ol?
2-(3-fluoro-4-hydroxyphenyl)-7-methyl-1-benzofuran-5-ol has a molecular weight of 258.25 g/mol, XLogP of 3.96, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-hydroxyphenyl)-7-methyl-1-benzofuran-5-ol is sourced from PubChem (CID 22221630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).