3-(4-Fluorophenyl)-3-(4-hydroxy-2-methylphenyl)-2-benzofuran-1(3H)-one
Basic information
- CAS
148238-45-3- Standard SMILES
Cc1cc(O)ccc1C1(c2ccc(F)cc2)OC(=O)c2ccccc21- InChIKey
NMZBIRJGKPTDBF-UHFFFAOYSA-N- Molecular formula
- C21H15FO3
- Average molar mass
- 334.3 g/mol
- Monoisotopic mass
- 334.1005225
Names & identifiers
- Preferred name
- 3-(4-Fluorophenyl)-3-(4-hydroxy-2-methylphenyl)-2-benzofuran-1(3H)-one
- IUPAC
- 3-(4-fluorophenyl)-3-(4-hydroxy-2-methylphenyl)-2-benzofuran-1-one
Names & synonyms
148238-45-33-(4-Fluorophenyl)-3-(4-hydroxy-2-methylphenyl)-2-benzofuran-1(3H)-oneNSC6823353-(4-Fluorophenyl)-3-(4-hydroxy-2-methylphenyl)isobenzofuran-1(3H)-oneNSC 682335NCIChal_000028SCHEMBL5582109CHEMBL1980432NSC-682335NCI60_0294473-(4-Fluorophenyl)-3-(4-hydroxy-2-methylphenyl)phthalide3-(4-fluorophenyl)-3-(4-hydroxy-2-methyl-phenyl)isobenzofuran-1-one
Database identifiers
- CAS
148238-45-3- PubChem CID
- 387973
- ChEMBL
CHEMBL1980432
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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