Basic information
- Standard SMILES
O=c1occc2cc(OC[C@@H]3CCCO3)ccc12- InChIKey
QGQWMIGHXFADMD-LBPRGKRZSA-N- Molecular formula
- C14H14O4
- Average molar mass
- 246.26 g/mol
Names & identifiers
- Preferred name
- 6-[(S)-1-(tetrahydrofuran-2-yl)methoxy]isochromen-1-one
- IUPAC
- 6-[[(2S)-oxolan-2-yl]methoxy]isochromen-1-one
Names & synonyms
SCHEMBL1023335QGQWMIGHXFADMD-LBPRGKRZSA-N6-[(S)-1-(tetrahydrofuran-2-yl)methoxy]isochromen-1-one6-[(S)-1-(Tetrahydro-furan-2-yl)methoxy]-isochromen-1-one
Database identifiers
- PubChem CID
- 66879690
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 339
Related reactions
3 records
Compound notes
Loading…