3,4-Diphenylcoumarin
Basic information
- CAS
71644-60-5- Standard SMILES
O=c1oc2ccccc2c(-c2ccccc2)c1-c1ccccc1- InChIKey
PNQJTOKSXJMLND-UHFFFAOYSA-N- Molecular formula
- C21H14O2
- Average molar mass
- 298.3 g/mol
- Monoisotopic mass
- 298.09937969
Names & identifiers
- Preferred name
- 3,4-Diphenylcoumarin
- IUPAC
- 3,4-diphenylchromen-2-one
Names & synonyms
3,4-DIPHENYLCOUMARIN3,4-diphenylchromen-2-one71644-60-5diphenyl coumarinSCHEMBL1800595PNQJTOKSXJMLND-UHFFFAOYSA-NDTXSID201370795AKOS0242872072H-1-Benzopyran-2-one, 3,4-diphenyl-ST098974
Database identifiers
- CAS
71644-60-5- PubChem CID
- 3977002
- DTXSID
DTXSID201370795- Nikkaji
- J1.145.554I
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 466
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Related reactions
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Compound notes
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