6-bromo-2,3-dihydro-1-benzofuran

C8H7BrO — CID 11252616

IUPAC6-bromo-2,3-dihydro-1-benzofuran
SMILESBrc1ccc2c(c1)OCC2
InChIInChI=1S/C8H7BrO/c9-7-2-1-6-3-4-10-8(6)5-7/h1-2,5H,3-4H2
InChIKeyBQWBDYZMUCSEHK-UHFFFAOYSA-N
MW199.05 g/mol
LogP2.38
Rot. Bonds

About 6-bromo-2,3-dihydro-1-benzofuran

6-bromo-2,3-dihydro-1-benzofuran (PubChem CID 11252616) has the molecular formula C8H7BrO and a molecular weight of 199.05 g/mol. Its IUPAC name is 6-bromo-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name6-bromo-2,3-dihydro-1-benzofuran
PubChem CID11252616
Molecular FormulaC8H7BrO
Molecular Weight199.05 g/mol
Exact Mass197.97
IUPAC Name6-bromo-2,3-dihydro-1-benzofuran
SMILESBrc1ccc2c(c1)OCC2
InChIInChI=1S/C8H7BrO/c9-7-2-1-6-3-4-10-8(6)5-7/h1-2,5H,3-4H2
InChIKeyBQWBDYZMUCSEHK-UHFFFAOYSA-N
XLogP2.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.05
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,3-dihydro-1-benzofuran?
The IUPAC name of 6-bromo-2,3-dihydro-1-benzofuran (CID 11252616) is 6-bromo-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 6-bromo-2,3-dihydro-1-benzofuran?
The canonical SMILES for 6-bromo-2,3-dihydro-1-benzofuran is Brc1ccc2c(c1)OCC2.
What is the InChIKey of 6-bromo-2,3-dihydro-1-benzofuran?
The InChIKey is BQWBDYZMUCSEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO/c9-7-2-1-6-3-4-10-8(6)5-7/h1-2,5H,3-4H2.
What are the key properties of 6-bromo-2,3-dihydro-1-benzofuran?
6-bromo-2,3-dihydro-1-benzofuran has a molecular weight of 199.05 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 11252616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).