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Basic information
- Standard SMILES
O=C1OCCc2cccc(-c3ccccc3)c21- InChIKey
JGQMCEZZJOMGLQ-UHFFFAOYSA-N- Molecular formula
- C15H12O2
- Average molar mass
- 224.25 g/mol
- Monoisotopic mass
- 224.08372962
Names & identifiers
- Preferred name
- 3,4-Dihydro-8-phenylisocoumarin
- IUPAC
- 8-phenyl-3,4-dihydroisochromen-1-one
Names & synonyms
SCHEMBL114882203,4-dihydro-8-phenylisocoumarinJGQMCEZZJOMGLQ-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 23344366
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 281
Related reactions
2 records
Compound notes
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