4-bromo-2-(4-hydroxyphenyl)-7-methoxy-1-benzofuran-5-ol

C15H11BrO4 — CID 10215290

IUPAC4-bromo-2-(4-hydroxyphenyl)-7-methoxy-1-benzofuran-5-ol
SMILESCOc1cc(O)c(Br)c2cc(-c3ccc(O)cc3)oc12
InChIInChI=1S/C15H11BrO4/c1-19-13-7-11(18)14(16)10-6-12(20-15(10)13)8-2-4-9(17)5-3-8/h2-7,17-18H,1H3
InChIKeyGWRGVEOEXIBMJH-UHFFFAOYSA-N
MW335.15 g/mol
LogP4.28
Rot. Bonds2

About 4-bromo-2-(4-hydroxyphenyl)-7-methoxy-1-benzofuran-5-ol

4-bromo-2-(4-hydroxyphenyl)-7-methoxy-1-benzofuran-5-ol (PubChem CID 10215290) has the molecular formula C15H11BrO4 and a molecular weight of 335.15 g/mol. Its IUPAC name is 4-bromo-2-(4-hydroxyphenyl)-7-methoxy-1-benzofuran-5-ol.

Molecular Properties

Compound Name4-bromo-2-(4-hydroxyphenyl)-7-methoxy-1-benzofuran-5-ol
PubChem CID10215290
Molecular FormulaC15H11BrO4
Molecular Weight335.15 g/mol
Exact Mass333.98
IUPAC Name4-bromo-2-(4-hydroxyphenyl)-7-methoxy-1-benzofuran-5-ol
SMILESCOc1cc(O)c(Br)c2cc(-c3ccc(O)cc3)oc12
InChIInChI=1S/C15H11BrO4/c1-19-13-7-11(18)14(16)10-6-12(20-15(10)13)8-2-4-9(17)5-3-8/h2-7,17-18H,1H3
InChIKeyGWRGVEOEXIBMJH-UHFFFAOYSA-N
XLogP4.28
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.15
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-hydroxyphenyl)-7-methoxy-1-benzofuran-5-ol?
The IUPAC name of 4-bromo-2-(4-hydroxyphenyl)-7-methoxy-1-benzofuran-5-ol (CID 10215290) is 4-bromo-2-(4-hydroxyphenyl)-7-methoxy-1-benzofuran-5-ol.
What is the SMILES notation for 4-bromo-2-(4-hydroxyphenyl)-7-methoxy-1-benzofuran-5-ol?
The canonical SMILES for 4-bromo-2-(4-hydroxyphenyl)-7-methoxy-1-benzofuran-5-ol is COc1cc(O)c(Br)c2cc(-c3ccc(O)cc3)oc12.
What is the InChIKey of 4-bromo-2-(4-hydroxyphenyl)-7-methoxy-1-benzofuran-5-ol?
The InChIKey is GWRGVEOEXIBMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO4/c1-19-13-7-11(18)14(16)10-6-12(20-15(10)13)8-2-4-9(17)5-3-8/h2-7,17-18H,1H3.
What are the key properties of 4-bromo-2-(4-hydroxyphenyl)-7-methoxy-1-benzofuran-5-ol?
4-bromo-2-(4-hydroxyphenyl)-7-methoxy-1-benzofuran-5-ol has a molecular weight of 335.15 g/mol, XLogP of 4.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-hydroxyphenyl)-7-methoxy-1-benzofuran-5-ol is sourced from PubChem (CID 10215290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).