7-bromo-3-phenyl-1-benzofuran

C14H9BrO — CID 3016355

IUPAC7-bromo-3-phenyl-1-benzofuran
SMILESBrc1cccc2c(-c3ccccc3)coc12
InChIInChI=1S/C14H9BrO/c15-13-8-4-7-11-12(9-16-14(11)13)10-5-2-1-3-6-10/h1-9H
InChIKeyPCPFVKJXSNDOBF-UHFFFAOYSA-N
MW273.13 g/mol
LogP4.86
Rot. Bonds1

About 7-bromo-3-phenyl-1-benzofuran

7-bromo-3-phenyl-1-benzofuran (PubChem CID 3016355) has the molecular formula C14H9BrO and a molecular weight of 273.13 g/mol. Its IUPAC name is 7-bromo-3-phenyl-1-benzofuran.

Molecular Properties

Compound Name7-bromo-3-phenyl-1-benzofuran
PubChem CID3016355
Molecular FormulaC14H9BrO
Molecular Weight273.13 g/mol
Exact Mass271.98
IUPAC Name7-bromo-3-phenyl-1-benzofuran
SMILESBrc1cccc2c(-c3ccccc3)coc12
InChIInChI=1S/C14H9BrO/c15-13-8-4-7-11-12(9-16-14(11)13)10-5-2-1-3-6-10/h1-9H
InChIKeyPCPFVKJXSNDOBF-UHFFFAOYSA-N
XLogP4.86
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-phenyl-1-benzofuran?
The IUPAC name of 7-bromo-3-phenyl-1-benzofuran (CID 3016355) is 7-bromo-3-phenyl-1-benzofuran.
What is the SMILES notation for 7-bromo-3-phenyl-1-benzofuran?
The canonical SMILES for 7-bromo-3-phenyl-1-benzofuran is Brc1cccc2c(-c3ccccc3)coc12.
What is the InChIKey of 7-bromo-3-phenyl-1-benzofuran?
The InChIKey is PCPFVKJXSNDOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrO/c15-13-8-4-7-11-12(9-16-14(11)13)10-5-2-1-3-6-10/h1-9H.
What are the key properties of 7-bromo-3-phenyl-1-benzofuran?
7-bromo-3-phenyl-1-benzofuran has a molecular weight of 273.13 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-phenyl-1-benzofuran is sourced from PubChem (CID 3016355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).