Basic information
- Standard SMILES
CC(=O)c1cc2c(OC(=O)c3ccccc3)cccc2s1- InChIKey
RXRWQBFZPBYPRW-UHFFFAOYSA-N- Molecular formula
- C17H12O3S
- Average molar mass
- 296.3 g/mol
- Monoisotopic mass
- 296.05071541
Names & identifiers
- Preferred name
- 2-Acetylbenzo[b]thiophen-4-yl benzoate
- IUPAC
- (2-acetyl-1-benzothiophen-4-yl) benzoate
Names & synonyms
SCHEMBL6329551RXRWQBFZPBYPRW-UHFFFAOYSA-N2-acetylbenzo[b]thiophen-4-yl benzoate
Database identifiers
- PubChem CID
- 22473670
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 403
Related reactions
3 records
Compound notes
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