4-bromo-3,6-dihydro-2H-1-benzofuran-7-one

C8H7BrO2 — CID 175392448

IUPAC4-bromo-3,6-dihydro-2H-1-benzofuran-7-one
SMILESO=C1CC=C(Br)C2=C1OCC2
InChIInChI=1S/C8H7BrO2/c9-6-1-2-7(10)8-5(6)3-4-11-8/h1H,2-4H2
InChIKeyGNWISEIVKZESDU-UHFFFAOYSA-N
MW215.05 g/mol
LogP1.91
Rot. Bonds

About 4-bromo-3,6-dihydro-2H-1-benzofuran-7-one

4-bromo-3,6-dihydro-2H-1-benzofuran-7-one (PubChem CID 175392448) has the molecular formula C8H7BrO2 and a molecular weight of 215.05 g/mol. Its IUPAC name is 4-bromo-3,6-dihydro-2H-1-benzofuran-7-one.

Molecular Properties

Compound Name4-bromo-3,6-dihydro-2H-1-benzofuran-7-one
PubChem CID175392448
Molecular FormulaC8H7BrO2
Molecular Weight215.05 g/mol
Exact Mass213.96
IUPAC Name4-bromo-3,6-dihydro-2H-1-benzofuran-7-one
SMILESO=C1CC=C(Br)C2=C1OCC2
InChIInChI=1S/C8H7BrO2/c9-6-1-2-7(10)8-5(6)3-4-11-8/h1H,2-4H2
InChIKeyGNWISEIVKZESDU-UHFFFAOYSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.05
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,6-dihydro-2H-1-benzofuran-7-one?
The IUPAC name of 4-bromo-3,6-dihydro-2H-1-benzofuran-7-one (CID 175392448) is 4-bromo-3,6-dihydro-2H-1-benzofuran-7-one.
What is the SMILES notation for 4-bromo-3,6-dihydro-2H-1-benzofuran-7-one?
The canonical SMILES for 4-bromo-3,6-dihydro-2H-1-benzofuran-7-one is O=C1CC=C(Br)C2=C1OCC2.
What is the InChIKey of 4-bromo-3,6-dihydro-2H-1-benzofuran-7-one?
The InChIKey is GNWISEIVKZESDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrO2/c9-6-1-2-7(10)8-5(6)3-4-11-8/h1H,2-4H2.
What are the key properties of 4-bromo-3,6-dihydro-2H-1-benzofuran-7-one?
4-bromo-3,6-dihydro-2H-1-benzofuran-7-one has a molecular weight of 215.05 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,6-dihydro-2H-1-benzofuran-7-one is sourced from PubChem (CID 175392448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).