2-bromo-4,5,6,7-tetrahydro-1-benzofuran

C8H9BrO — CID 84776022

IUPAC2-bromo-4,5,6,7-tetrahydro-1-benzofuran
SMILESBrc1cc2c(o1)CCCC2
InChIInChI=1S/C8H9BrO/c9-8-5-6-3-1-2-4-7(6)10-8/h5H,1-4H2
InChIKeyMLKFFUMPNOCYTA-UHFFFAOYSA-N
MW201.06 g/mol
LogP2.92
Rot. Bonds

About 2-bromo-4,5,6,7-tetrahydro-1-benzofuran

2-bromo-4,5,6,7-tetrahydro-1-benzofuran (PubChem CID 84776022) has the molecular formula C8H9BrO and a molecular weight of 201.06 g/mol. Its IUPAC name is 2-bromo-4,5,6,7-tetrahydro-1-benzofuran.

Molecular Properties

Compound Name2-bromo-4,5,6,7-tetrahydro-1-benzofuran
PubChem CID84776022
Molecular FormulaC8H9BrO
Molecular Weight201.06 g/mol
Exact Mass199.98
IUPAC Name2-bromo-4,5,6,7-tetrahydro-1-benzofuran
SMILESBrc1cc2c(o1)CCCC2
InChIInChI=1S/C8H9BrO/c9-8-5-6-3-1-2-4-7(6)10-8/h5H,1-4H2
InChIKeyMLKFFUMPNOCYTA-UHFFFAOYSA-N
XLogP2.92
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.06
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4,5,6,7-tetrahydro-1-benzofuran?
The IUPAC name of 2-bromo-4,5,6,7-tetrahydro-1-benzofuran (CID 84776022) is 2-bromo-4,5,6,7-tetrahydro-1-benzofuran.
What is the SMILES notation for 2-bromo-4,5,6,7-tetrahydro-1-benzofuran?
The canonical SMILES for 2-bromo-4,5,6,7-tetrahydro-1-benzofuran is Brc1cc2c(o1)CCCC2.
What is the InChIKey of 2-bromo-4,5,6,7-tetrahydro-1-benzofuran?
The InChIKey is MLKFFUMPNOCYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO/c9-8-5-6-3-1-2-4-7(6)10-8/h5H,1-4H2.
What are the key properties of 2-bromo-4,5,6,7-tetrahydro-1-benzofuran?
2-bromo-4,5,6,7-tetrahydro-1-benzofuran has a molecular weight of 201.06 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4,5,6,7-tetrahydro-1-benzofuran is sourced from PubChem (CID 84776022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).