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Basic information
- Standard SMILES
CC(CO)(CCCS(=O)CCCC(C)(CO)c1ccccc1)c1ccccc1- InChIKey
JSOCMLGSQVOMQK-UHFFFAOYSA-N- Molecular formula
- C24H34O3S
- Average molar mass
- 402.6 g/mol
- Monoisotopic mass
- 402.22286612
Names & identifiers
- Preferred name
- 5-(5-Hydroxy-4-methyl-4-phenylpentylsulfinyl)-2-methyl-2-phenylpentan-1-ol
- IUPAC
- 5-(5-hydroxy-4-methyl-4-phenylpentyl)sulfinyl-2-methyl-2-phenylpentan-1-ol
Names & synonyms
CHEMBL381216SCHEMBL5526988JSOCMLGSQVOMQK-UHFFFAOYSA-N5-(5-hydroxy-4-methyl-4-phenylpentylsulfinyl)-2-methyl-2-phenylpentan-1-ol
Database identifiers
- PubChem CID
- 10092534
- ChEMBL
CHEMBL381216
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 417
Related reactions
1 records
Compound notes
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