3-benzyl-7-bromo-1-benzofuran

C15H11BrO — CID 59344886

IUPAC3-benzyl-7-bromo-1-benzofuran
SMILESBrc1cccc2c(Cc3ccccc3)coc12
InChIInChI=1S/C15H11BrO/c16-14-8-4-7-13-12(10-17-15(13)14)9-11-5-2-1-3-6-11/h1-8,10H,9H2
InChIKeyBWIMTQOTJYSRFD-UHFFFAOYSA-N
MW287.16 g/mol
LogP4.79
Rot. Bonds2

About 3-benzyl-7-bromo-1-benzofuran

3-benzyl-7-bromo-1-benzofuran (PubChem CID 59344886) has the molecular formula C15H11BrO and a molecular weight of 287.16 g/mol. Its IUPAC name is 3-benzyl-7-bromo-1-benzofuran.

Molecular Properties

Compound Name3-benzyl-7-bromo-1-benzofuran
PubChem CID59344886
Molecular FormulaC15H11BrO
Molecular Weight287.16 g/mol
Exact Mass286.00
IUPAC Name3-benzyl-7-bromo-1-benzofuran
SMILESBrc1cccc2c(Cc3ccccc3)coc12
InChIInChI=1S/C15H11BrO/c16-14-8-4-7-13-12(10-17-15(13)14)9-11-5-2-1-3-6-11/h1-8,10H,9H2
InChIKeyBWIMTQOTJYSRFD-UHFFFAOYSA-N
XLogP4.79
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-7-bromo-1-benzofuran?
The IUPAC name of 3-benzyl-7-bromo-1-benzofuran (CID 59344886) is 3-benzyl-7-bromo-1-benzofuran.
What is the SMILES notation for 3-benzyl-7-bromo-1-benzofuran?
The canonical SMILES for 3-benzyl-7-bromo-1-benzofuran is Brc1cccc2c(Cc3ccccc3)coc12.
What is the InChIKey of 3-benzyl-7-bromo-1-benzofuran?
The InChIKey is BWIMTQOTJYSRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrO/c16-14-8-4-7-13-12(10-17-15(13)14)9-11-5-2-1-3-6-11/h1-8,10H,9H2.
What are the key properties of 3-benzyl-7-bromo-1-benzofuran?
3-benzyl-7-bromo-1-benzofuran has a molecular weight of 287.16 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-7-bromo-1-benzofuran is sourced from PubChem (CID 59344886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).