3,3-Bis(2-methylphenyl)-2-benzofuran-1(3h)-one
Basic information
- CAS
75195-51-6- Standard SMILES
Cc1ccccc1C1(c2ccccc2C)OC(=O)c2ccccc21- InChIKey
RPEVFIINKQHCJH-UHFFFAOYSA-N- Molecular formula
- C22H18O2
- Average molar mass
- 314.4 g/mol
- Monoisotopic mass
- 314.13067981
Names & identifiers
- Preferred name
- 3,3-Bis(2-methylphenyl)-2-benzofuran-1(3h)-one
- IUPAC
- 3,3-bis(2-methylphenyl)-2-benzofuran-1-one
Names & synonyms
3,3-bis(2-methylphenyl)-2-benzofuran-1(3h)-one3,3-bis(2-methylphenyl)-2-benzofuran-1-one75195-51-6Di-o-tolyl-phthalidNSC1436411(3H)-Isobenzofuranone,3,3-bis(2-methylphenyl)-SCHEMBL6916063DTXSID70301475RPEVFIINKQHCJH-UHFFFAOYSA-NNSC-143641DS-008028ST45272977
Database identifiers
- CAS
75195-51-6- PubChem CID
- 285973
- DTXSID
DTXSID70301475
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 449
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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