3-bromo-2-phenyl-1-benzofuran-4-ol

C14H9BrO2 — CID 23265810

IUPAC3-bromo-2-phenyl-1-benzofuran-4-ol
SMILESOc1cccc2oc(-c3ccccc3)c(Br)c12
InChIInChI=1S/C14H9BrO2/c15-13-12-10(16)7-4-8-11(12)17-14(13)9-5-2-1-3-6-9/h1-8,16H
InChIKeySDONTGTXTKZHIN-UHFFFAOYSA-N
MW289.13 g/mol
LogP4.57
Rot. Bonds1

About 3-bromo-2-phenyl-1-benzofuran-4-ol

3-bromo-2-phenyl-1-benzofuran-4-ol (PubChem CID 23265810) has the molecular formula C14H9BrO2 and a molecular weight of 289.13 g/mol. Its IUPAC name is 3-bromo-2-phenyl-1-benzofuran-4-ol.

Molecular Properties

Compound Name3-bromo-2-phenyl-1-benzofuran-4-ol
PubChem CID23265810
Molecular FormulaC14H9BrO2
Molecular Weight289.13 g/mol
Exact Mass287.98
IUPAC Name3-bromo-2-phenyl-1-benzofuran-4-ol
SMILESOc1cccc2oc(-c3ccccc3)c(Br)c12
InChIInChI=1S/C14H9BrO2/c15-13-12-10(16)7-4-8-11(12)17-14(13)9-5-2-1-3-6-9/h1-8,16H
InChIKeySDONTGTXTKZHIN-UHFFFAOYSA-N
XLogP4.57
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-phenyl-1-benzofuran-4-ol?
The IUPAC name of 3-bromo-2-phenyl-1-benzofuran-4-ol (CID 23265810) is 3-bromo-2-phenyl-1-benzofuran-4-ol.
What is the SMILES notation for 3-bromo-2-phenyl-1-benzofuran-4-ol?
The canonical SMILES for 3-bromo-2-phenyl-1-benzofuran-4-ol is Oc1cccc2oc(-c3ccccc3)c(Br)c12.
What is the InChIKey of 3-bromo-2-phenyl-1-benzofuran-4-ol?
The InChIKey is SDONTGTXTKZHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrO2/c15-13-12-10(16)7-4-8-11(12)17-14(13)9-5-2-1-3-6-9/h1-8,16H.
What are the key properties of 3-bromo-2-phenyl-1-benzofuran-4-ol?
3-bromo-2-phenyl-1-benzofuran-4-ol has a molecular weight of 289.13 g/mol, XLogP of 4.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-phenyl-1-benzofuran-4-ol is sourced from PubChem (CID 23265810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).