Basic information
- Standard SMILES
CC1(c2ccccc2)OC(/C=C/c2ccsc2)=CC1=O- InChIKey
SPTZDLYVXGJHHF-BQYQJAHWSA-N- Molecular formula
- C17H14O2S
- Average molar mass
- 282.4 g/mol
Names & identifiers
- Preferred name
- (E)-2-methyl-2-phenyl-5-[2-(3-thienyl)ethenyl]-3(2H)-furanone
- IUPAC
- 2-methyl-2-phenyl-5-[(E)-2-thiophen-3-ylethenyl]furan-3-one
Names & synonyms
CHEMBL277093SCHEMBL6756864SPTZDLYVXGJHHF-BQYQJAHWSA-N(E)-2-methyl-2-phenyl-5-[2-(3-thienyl)ethenyl]-3(2H)-furanone
Database identifiers
- PubChem CID
- 11300541
- ChEMBL
CHEMBL277093- Nikkaji
- J475.642H
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 434
Related reactions
10 records
Linked notes
Loading…