Basic information
- Standard SMILES
CC(=O)c1cc2c(-c3cc(C)cc(C(C)(C)C)c3O)cccc2s1- InChIKey
LHLUVGMCAJZOAZ-UHFFFAOYSA-N- Molecular formula
- C21H22O2S
- Average molar mass
- 338.5 g/mol
- Monoisotopic mass
- 338.13405111
Names & identifiers
- Preferred name
- 2-Acetyl-4-(2-hydroxy-3-tert-butyl-5-methylphenyl)benzo[b]thiophene
- IUPAC
- 1-[4-(3-tert-butyl-2-hydroxy-5-methylphenyl)-1-benzothiophen-2-yl]ethanone
Names & synonyms
SCHEMBL4852209LHLUVGMCAJZOAZ-UHFFFAOYSA-N2-acetyl-4-(2-hydroxy-3-tert-butyl-5-methylphenyl)benzo[b]thiophene
Database identifiers
- PubChem CID
- 17952802
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 469
Related reactions
2 records
Compound notes
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