(7-methoxy-3-oxo-1H-2-benzofuran-1-yl)-triphenylphosphanium
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Basic information
- Standard SMILES
COc1cccc2c1C([P+](c1ccccc1)(c1ccccc1)c1ccccc1)OC2=O- InChIKey
IZUBYBIPGOTRHO-UHFFFAOYSA-N- Molecular formula
- C27H22O3P+
- Average molar mass
- 425.4 g/mol
- Monoisotopic mass
- 425.13065656
Names & identifiers
- Preferred name
- (7-methoxy-3-oxo-1H-2-benzofuran-1-yl)-triphenylphosphanium
- IUPAC
- (7-methoxy-3-oxo-1H-2-benzofuran-1-yl)-triphenylphosphanium
Names & synonyms
SCHEMBL87177
Database identifiers
- PubChem CID
- 11720321
Properties
Computed structural propertiesFilling in
- XLogP
- 5.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 1
- Complexity
- 558
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Related reactions
1 records
Compound notes
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