Basic information
- Standard SMILES
COc1ccc(C2=C(c3ccc(S(C)(=O)=O)cc3)C(C)(C)OC2=O)cc1- InChIKey
FFARPCMKCPFQAU-UHFFFAOYSA-N- Molecular formula
- C20H20O5S
- Average molar mass
- 372.4 g/mol
- Monoisotopic mass
- 372.10314491
Names & identifiers
- Preferred name
- 5,5-Dimethyl-4-(4-(methylsulfonyl)phenyl)-3-(4-methoxyphenyl)-2-(5H)-furanone
- IUPAC
- 3-(4-methoxyphenyl)-5,5-dimethyl-4-(4-methylsulfonylphenyl)furan-2-one
Names & synonyms
SCHEMBL6988368FFARPCMKCPFQAU-UHFFFAOYSA-N5,5-Dimethyl-4-(4-(methylsulfonyl)phenyl)-3-(4-methoxyphenyl)-2-(5H)-furanone
Database identifiers
- PubChem CID
- 15516709
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 78.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 669
Related reactions
1 records
Compound notes
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