Basic information
- Standard SMILES
O=c1oc(-c2ccccc2)cc(O)c1SCCCc1ccccc1- InChIKey
NLLRFWVAGAQZLA-UHFFFAOYSA-N- Molecular formula
- C20H18O3S
- Average molar mass
- 338.4 g/mol
Names & identifiers
- Preferred name
- 4-Hydroxy-3-(phenylpropylthio)-6-phenylpyran-2-one
- IUPAC
- 4-hydroxy-6-phenyl-3-(3-phenylpropylsulfanyl)pyran-2-one
Names & synonyms
SCHEMBL6963458NLLRFWVAGAQZLA-UHFFFAOYSA-N6Ph4OHPyran2one, 3-(Ph-PrS) deriv.4-Hydroxy-3-(phenylpropylthio)-6-phenylpyran-2-one4-hydroxy-6-phenyl-3-(3-phenylpropylsulfanyl)pyran-2-one4-Hydroxy-6-phenyl-3-[(3-phenylpropyl)thio]-2H-pyran-2-one
Database identifiers
- PubChem CID
- 54681306
- Nikkaji
- J595.943H
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 497
Related reactions
2 records
Compound notes
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