(3-Bromo-4-methoxyphenyl)(2-ethyl-3-benzofuranyl)methanone
Basic information
- CAS
1352799-79-1- Standard SMILES
CCc1oc2ccccc2c1C(=O)c1ccc(OC)c(Br)c1- InChIKey
VTEDNSJNTRSQDP-UHFFFAOYSA-N- Molecular formula
- C18H15BrO3
- Average molar mass
- 359.2 g/mol
Names & identifiers
- Preferred name
- (3-Bromo-4-methoxyphenyl)(2-ethyl-3-benzofuranyl)methanone
- IUPAC
- (3-bromo-4-methoxyphenyl)-(2-ethyl-1-benzofuran-3-yl)methanone
- English name
- (3-Bromo-4-methoxyphenyl)(2-ethyl-3-benzofuranyl)methanone
- Molecular formula
- C18H15BrO3
- Molecular weight
- 359.21
Names & synonyms
1352799-79-1(3-Bromo-4-methoxyphenyl)(2-ethyl-3-benzofuranyl)methanoneSCHEMBL1288110VTEDNSJNTRSQDP-UHFFFAOYSA-NH57611(3-Bromo-4-methoxyphenyl)(2-ethylbenzofuran-3-yl)methanoneBenzbromarone Impurity 14Methanone, (3-bromo-4-methoxyphenyl)(2-ethyl-3-benzofuranyl)-
Database identifiers
- CAS
1352799-79-1
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 39.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 400
Physicochemical properties
- Boiling point
- 494.2 · 494.2±45.0 °C(Predicted)
- Density
- 1.395 · 1.395±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses(3-Bromo-4-methoxyphenyl)(2-ethyl-3-benzofuranyl)methanone is an intermediate used in the synthesis of (3-Bromo-4-hydroxyphenyl)(2-ethyl-3-benzofuranyl)-methanone (B685230), which is an impurity of benzbromarone (B185200) and is currently being investigated as a potent human uric acid (U829200) transporter I inhibitor.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…