3-(bromomethylidene)-2-benzofuran-1-one

C9H5BrO2 — CID 74390240

IUPAC3-(bromomethylidene)-2-benzofuran-1-one
SMILESO=C1OC(=CBr)c2ccccc21
InChIInChI=1S/C9H5BrO2/c10-5-8-6-3-1-2-4-7(6)9(11)12-8/h1-5H
InChIKeyHJPHRVKWYJAXPR-UHFFFAOYSA-N
MW225.04 g/mol
LogP2.55
Rot. Bonds

About 3-(bromomethylidene)-2-benzofuran-1-one

3-(bromomethylidene)-2-benzofuran-1-one (PubChem CID 74390240) has the molecular formula C9H5BrO2 and a molecular weight of 225.04 g/mol. Its IUPAC name is 3-(bromomethylidene)-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(bromomethylidene)-2-benzofuran-1-one
PubChem CID74390240
Molecular FormulaC9H5BrO2
Molecular Weight225.04 g/mol
Exact Mass223.95
IUPAC Name3-(bromomethylidene)-2-benzofuran-1-one
SMILESO=C1OC(=CBr)c2ccccc21
InChIInChI=1S/C9H5BrO2/c10-5-8-6-3-1-2-4-7(6)9(11)12-8/h1-5H
InChIKeyHJPHRVKWYJAXPR-UHFFFAOYSA-N
XLogP2.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.04
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(bromomethylidene)-2-benzofuran-1-one?
The IUPAC name of 3-(bromomethylidene)-2-benzofuran-1-one (CID 74390240) is 3-(bromomethylidene)-2-benzofuran-1-one.
What is the SMILES notation for 3-(bromomethylidene)-2-benzofuran-1-one?
The canonical SMILES for 3-(bromomethylidene)-2-benzofuran-1-one is O=C1OC(=CBr)c2ccccc21.
What is the InChIKey of 3-(bromomethylidene)-2-benzofuran-1-one?
The InChIKey is HJPHRVKWYJAXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrO2/c10-5-8-6-3-1-2-4-7(6)9(11)12-8/h1-5H.
What are the key properties of 3-(bromomethylidene)-2-benzofuran-1-one?
3-(bromomethylidene)-2-benzofuran-1-one has a molecular weight of 225.04 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethylidene)-2-benzofuran-1-one is sourced from PubChem (CID 74390240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).