5-bromo-3-(4-methoxyphenyl)-1-benzofuran

C15H11BrO2 — CID 58123254

IUPAC5-bromo-3-(4-methoxyphenyl)-1-benzofuran
SMILESCOc1ccc(-c2coc3ccc(Br)cc23)cc1
InChIInChI=1S/C15H11BrO2/c1-17-12-5-2-10(3-6-12)14-9-18-15-7-4-11(16)8-13(14)15/h2-9H,1H3
InChIKeyQFFKEODDMBLQMI-UHFFFAOYSA-N
MW303.16 g/mol
LogP4.87
Rot. Bonds2

About 5-bromo-3-(4-methoxyphenyl)-1-benzofuran

5-bromo-3-(4-methoxyphenyl)-1-benzofuran (PubChem CID 58123254) has the molecular formula C15H11BrO2 and a molecular weight of 303.16 g/mol. Its IUPAC name is 5-bromo-3-(4-methoxyphenyl)-1-benzofuran.

Molecular Properties

Compound Name5-bromo-3-(4-methoxyphenyl)-1-benzofuran
PubChem CID58123254
Molecular FormulaC15H11BrO2
Molecular Weight303.16 g/mol
Exact Mass301.99
IUPAC Name5-bromo-3-(4-methoxyphenyl)-1-benzofuran
SMILESCOc1ccc(-c2coc3ccc(Br)cc23)cc1
InChIInChI=1S/C15H11BrO2/c1-17-12-5-2-10(3-6-12)14-9-18-15-7-4-11(16)8-13(14)15/h2-9H,1H3
InChIKeyQFFKEODDMBLQMI-UHFFFAOYSA-N
XLogP4.87
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(4-methoxyphenyl)-1-benzofuran?
The IUPAC name of 5-bromo-3-(4-methoxyphenyl)-1-benzofuran (CID 58123254) is 5-bromo-3-(4-methoxyphenyl)-1-benzofuran.
What is the SMILES notation for 5-bromo-3-(4-methoxyphenyl)-1-benzofuran?
The canonical SMILES for 5-bromo-3-(4-methoxyphenyl)-1-benzofuran is COc1ccc(-c2coc3ccc(Br)cc23)cc1.
What is the InChIKey of 5-bromo-3-(4-methoxyphenyl)-1-benzofuran?
The InChIKey is QFFKEODDMBLQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO2/c1-17-12-5-2-10(3-6-12)14-9-18-15-7-4-11(16)8-13(14)15/h2-9H,1H3.
What are the key properties of 5-bromo-3-(4-methoxyphenyl)-1-benzofuran?
5-bromo-3-(4-methoxyphenyl)-1-benzofuran has a molecular weight of 303.16 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(4-methoxyphenyl)-1-benzofuran is sourced from PubChem (CID 58123254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).