Basic information
- CAS
51053-89-5- Standard SMILES
COC1(Sc2ccc(C)cc2)C(=O)Oc2ccccc21- InChIKey
VPJCNOPWLDISFM-UHFFFAOYSA-N- Molecular formula
- C16H14O3S
- Average molar mass
- 286.3 g/mol
- Monoisotopic mass
- 286.06636548
Names & identifiers
- Preferred name
- 1(3H)-Isobenzofuranone, 3-methoxy-3-((4-methylphenyl)thio)-
- IUPAC
- 3-methoxy-3-(4-methylphenyl)sulfanyl-1-benzofuran-2-one
Names & synonyms
51053-89-51(3H)-Isobenzofuranone, 3-methoxy-3-((4-methylphenyl)thio)-DTXSID009653421(3H)-Isobenzofuranone,3-methoxy-3-[(4-methylphenyl)thio]-3-methoxy-3-[(4-methylphenyl)sulfanyl]-1-benzofuran-2(3H)-one
Database identifiers
- CAS
51053-89-5- PubChem CID
- 142808
- DTXSID
DTXSID00965342
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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