7-bromo-1-benzofuran-6-ol

C8H5BrO2 — CID 83681550

IUPAC7-bromo-1-benzofuran-6-ol
SMILESOc1ccc2ccoc2c1Br
InChIInChI=1S/C8H5BrO2/c9-7-6(10)2-1-5-3-4-11-8(5)7/h1-4,10H
InChIKeyTVENIFHJTQLVFX-UHFFFAOYSA-N
MW213.03 g/mol
LogP2.90
Rot. Bonds

About 7-bromo-1-benzofuran-6-ol

7-bromo-1-benzofuran-6-ol (PubChem CID 83681550) has the molecular formula C8H5BrO2 and a molecular weight of 213.03 g/mol. Its IUPAC name is 7-bromo-1-benzofuran-6-ol.

Molecular Properties

Compound Name7-bromo-1-benzofuran-6-ol
PubChem CID83681550
Molecular FormulaC8H5BrO2
Molecular Weight213.03 g/mol
Exact Mass211.95
IUPAC Name7-bromo-1-benzofuran-6-ol
SMILESOc1ccc2ccoc2c1Br
InChIInChI=1S/C8H5BrO2/c9-7-6(10)2-1-5-3-4-11-8(5)7/h1-4,10H
InChIKeyTVENIFHJTQLVFX-UHFFFAOYSA-N
XLogP2.90
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.03
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-benzofuran-6-ol?
The IUPAC name of 7-bromo-1-benzofuran-6-ol (CID 83681550) is 7-bromo-1-benzofuran-6-ol.
What is the SMILES notation for 7-bromo-1-benzofuran-6-ol?
The canonical SMILES for 7-bromo-1-benzofuran-6-ol is Oc1ccc2ccoc2c1Br.
What is the InChIKey of 7-bromo-1-benzofuran-6-ol?
The InChIKey is TVENIFHJTQLVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrO2/c9-7-6(10)2-1-5-3-4-11-8(5)7/h1-4,10H.
What are the key properties of 7-bromo-1-benzofuran-6-ol?
7-bromo-1-benzofuran-6-ol has a molecular weight of 213.03 g/mol, XLogP of 2.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-benzofuran-6-ol is sourced from PubChem (CID 83681550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).