Basic information
- Standard SMILES
OCc1cccc(SCc2cccc(-n3cccc3)c2)c1- InChIKey
RCKCYSPOUDFSSC-UHFFFAOYSA-N- Molecular formula
- C18H17NOS
- Average molar mass
- 295.4 g/mol
Names & identifiers
- Preferred name
- 3-[3-(1-Pyrrolyl)benzylthio]benzyl alcohol
- IUPAC
- [3-[(3-pyrrol-1-ylphenyl)methylsulfanyl]phenyl]methanol
Names & synonyms
SCHEMBL9454859RCKCYSPOUDFSSC-UHFFFAOYSA-N3-[3-(1-pyrrolyl)benzylthio]benzyl alcohol
Database identifiers
- PubChem CID
- 54259385
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 50.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 306
Related reactions
1 records
Compound notes
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