2-[2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]ethanol

C22H19FO3S — CID 68532862

IUPAC2-[2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]ethanol
SMILESO=S(=O)(c1ccc(C=Cc2ccc(F)cc2)cc1)c1ccccc1CCO
InChIInChI=1S/C22H19FO3S/c23-20-11-7-17(8-12-20)5-6-18-9-13-21(14-10-18)27(25,26)22-4-2-1-3-19(22)15-16-24/h1-14,24H,15-16H2
InChIKeyWGAJZUNEWAOEFK-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.36
Rot. Bonds6

About 2-[2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]ethanol

2-[2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]ethanol (PubChem CID 68532862) has the molecular formula C22H19FO3S and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]ethanol.

Molecular Properties

Compound Name2-[2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]ethanol
PubChem CID68532862
Molecular FormulaC22H19FO3S
Molecular Weight382.46 g/mol
Exact Mass382.10
IUPAC Name2-[2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]ethanol
SMILESO=S(=O)(c1ccc(C=Cc2ccc(F)cc2)cc1)c1ccccc1CCO
InChIInChI=1S/C22H19FO3S/c23-20-11-7-17(8-12-20)5-6-18-9-13-21(14-10-18)27(25,26)22-4-2-1-3-19(22)15-16-24/h1-14,24H,15-16H2
InChIKeyWGAJZUNEWAOEFK-UHFFFAOYSA-N
XLogP4.36
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]ethanol?
The IUPAC name of 2-[2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]ethanol (CID 68532862) is 2-[2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]ethanol.
What is the SMILES notation for 2-[2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]ethanol?
The canonical SMILES for 2-[2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]ethanol is O=S(=O)(c1ccc(C=Cc2ccc(F)cc2)cc1)c1ccccc1CCO.
What is the InChIKey of 2-[2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]ethanol?
The InChIKey is WGAJZUNEWAOEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FO3S/c23-20-11-7-17(8-12-20)5-6-18-9-13-21(14-10-18)27(25,26)22-4-2-1-3-19(22)15-16-24/h1-14,24H,15-16H2.
What are the key properties of 2-[2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]ethanol?
2-[2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]ethanol has a molecular weight of 382.46 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]ethanol is sourced from PubChem (CID 68532862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).