6-bromo-3-ethyl-3H-2-benzofuran-1-one

C10H9BrO2 — CID 14365710

IUPAC6-bromo-3-ethyl-3H-2-benzofuran-1-one
SMILESCCC1OC(=O)c2cc(Br)ccc21
InChIInChI=1S/C10H9BrO2/c1-2-9-7-4-3-6(11)5-8(7)10(12)13-9/h3-5,9H,2H2,1H3
InChIKeyUGUYFSKFXCUNFI-UHFFFAOYSA-N
MW241.08 g/mol
LogP3.07
Rot. Bonds1

About 6-bromo-3-ethyl-3H-2-benzofuran-1-one

6-bromo-3-ethyl-3H-2-benzofuran-1-one (PubChem CID 14365710) has the molecular formula C10H9BrO2 and a molecular weight of 241.08 g/mol. Its IUPAC name is 6-bromo-3-ethyl-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name6-bromo-3-ethyl-3H-2-benzofuran-1-one
PubChem CID14365710
Molecular FormulaC10H9BrO2
Molecular Weight241.08 g/mol
Exact Mass239.98
IUPAC Name6-bromo-3-ethyl-3H-2-benzofuran-1-one
SMILESCCC1OC(=O)c2cc(Br)ccc21
InChIInChI=1S/C10H9BrO2/c1-2-9-7-4-3-6(11)5-8(7)10(12)13-9/h3-5,9H,2H2,1H3
InChIKeyUGUYFSKFXCUNFI-UHFFFAOYSA-N
XLogP3.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-ethyl-3H-2-benzofuran-1-one?
The IUPAC name of 6-bromo-3-ethyl-3H-2-benzofuran-1-one (CID 14365710) is 6-bromo-3-ethyl-3H-2-benzofuran-1-one.
What is the SMILES notation for 6-bromo-3-ethyl-3H-2-benzofuran-1-one?
The canonical SMILES for 6-bromo-3-ethyl-3H-2-benzofuran-1-one is CCC1OC(=O)c2cc(Br)ccc21.
What is the InChIKey of 6-bromo-3-ethyl-3H-2-benzofuran-1-one?
The InChIKey is UGUYFSKFXCUNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrO2/c1-2-9-7-4-3-6(11)5-8(7)10(12)13-9/h3-5,9H,2H2,1H3.
What are the key properties of 6-bromo-3-ethyl-3H-2-benzofuran-1-one?
6-bromo-3-ethyl-3H-2-benzofuran-1-one has a molecular weight of 241.08 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-ethyl-3H-2-benzofuran-1-one is sourced from PubChem (CID 14365710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).