Basic information
- Standard SMILES
CCc1sc(C(=O)CCc2cc(C)c(CC(O)CO)c(C)c2)cc1-c1ccccc1- InChIKey
ASPFMTACMGJOIV-UHFFFAOYSA-N- Molecular formula
- C26H30O3S
- Average molar mass
- 422.6 g/mol
Names & identifiers
- Preferred name
- 3-[4-(2,3-Dihydroxy-propyl)-3,5-dimethyl-phenyl]-1-(5-ethyl-4-phenyl-thiophen-2-yl)-propan-1-one
- IUPAC
- 3-[4-(2,3-dihydroxypropyl)-3,5-dimethylphenyl]-1-(5-ethyl-4-phenylthiophen-2-yl)propan-1-one
Names & synonyms
SCHEMBL1796869ASPFMTACMGJOIV-UHFFFAOYSA-N3-[4-(2,3-dihydroxy-propyl)-3,5-dimethyl-phenyl]-1-(5-ethyl-4-phenyl-thiophen-2-yl)-propan-1-one
Database identifiers
- PubChem CID
- 59249000
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 520
Related reactions
2 records
Compound notes
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