Basic information
- CAS
1018947-52-8- Standard SMILES
COc1ccc(-c2oc3ccc(CCO)cc3c2SC)cc1OC- InChIKey
ZMLBPSVNAIWKGH-UHFFFAOYSA-N- Molecular formula
- C19H20O4S
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.10823029
Names & identifiers
- Preferred name
- 2-(3,4-Dimethoxyphenyl)-3-(methylthio)-5-benzofuranethanol
- IUPAC
- 2-[2-(3,4-dimethoxyphenyl)-3-methylsulfanyl-1-benzofuran-5-yl]ethanol
Names & synonyms
SCHEMBL3019517DTXSID1011931021018947-52-82-(3,4-Dimethoxyphenyl)-3-(methylthio)-5-benzofuranethanol2-[2-(3,4-Dimethoxyphenyl)-3-(methylsulfanyl)-1-benzofuran-5-yl]ethan-1-ol
Database identifiers
- CAS
1018947-52-8- PubChem CID
- 24946331
- DTXSID
DTXSID101193102
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 77.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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