1-(3,4 Dimethoxy)-2-(1'thiophenoxy)-1-propanone
Basic information
- Standard SMILES
COc1ccc(C(=O)C(C)Sc2ccccc2)cc1OC- InChIKey
BNYSSGYKJNOOAH-UHFFFAOYSA-N- Molecular formula
- C17H18O3S
- Average molar mass
- 302.4 g/mol
- Monoisotopic mass
- 302.09766561
Names & identifiers
- Preferred name
- 1-(3,4 Dimethoxy)-2-(1'thiophenoxy)-1-propanone
- IUPAC
- 1-(3,4-dimethoxyphenyl)-2-phenylsulfanylpropan-1-one
Names & synonyms
NSC608610CHEMBL393832NSC-6086101-(3,4 Dimethoxy)-2-(1'thiophenoxy)-1-propanone
Database identifiers
- PubChem CID
- 355279
- ChEMBL
CHEMBL393832- Nikkaji
- J1.503.314B
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 328
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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