2-Benzoyl-5-(4-t-butyl-phenoxy)thiophene
Basic information
- Standard SMILES
CC(C)(C)c1ccc(Oc2ccc(C(=O)c3ccccc3)s2)cc1- InChIKey
CNYCBUJVIOVYAX-UHFFFAOYSA-N- Molecular formula
- C21H20O2S
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.11840105
Names & identifiers
- Preferred name
- 2-Benzoyl-5-(4-t-butyl-phenoxy)thiophene
- IUPAC
- [5-(4-tert-butylphenoxy)thiophen-2-yl]-phenylmethanone
Names & synonyms
SCHEMBL9147750CNYCBUJVIOVYAX-UHFFFAOYSA-N2-benzoyl-5-(4-t-butyl-phenoxy)thiophene
Database identifiers
- PubChem CID
- 19935313
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 414
Related reactions
3 records
Compound notes
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