3-Phenyl-8-methoxyisocoumarin
Basic information
- CAS
109480-69-5- Standard SMILES
COc1cccc2cc(-c3ccccc3)oc(=O)c12- InChIKey
OSVPEXPVZPBMGN-UHFFFAOYSA-N- Molecular formula
- C16H12O3
- Average molar mass
- 252.26 g/mol
- Monoisotopic mass
- 252.07864424
Names & identifiers
- Preferred name
- 3-Phenyl-8-methoxyisocoumarin
- IUPAC
- 8-methoxy-3-phenylisochromen-1-one
Names & synonyms
8-methoxy-3-phenyl-1h-isochromen-1-one109480-69-53-phenyl-8-methoxyisocoumarinNSC724389DTXSID20328117NSC-7243898-Methoxy-3-phenyl-1H-2-benzopyran-1-one
Database identifiers
- CAS
109480-69-5- PubChem CID
- 406330
- DTXSID
DTXSID20328117- Nikkaji
- J1.879.973A
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 368
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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