1-[2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]ethanol

C22H19FO3S — CID 21099378

IUPAC1-[2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]ethanol
SMILESCC(O)c1ccccc1S(=O)(=O)c1ccc(/C=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C22H19FO3S/c1-16(24)21-4-2-3-5-22(21)27(25,26)20-14-10-18(11-15-20)7-6-17-8-12-19(23)13-9-17/h2-16,24H,1H3/b7-6+
InChIKeyVARRTAZUISVFHX-VOTSOKGWSA-N
MW382.46 g/mol
LogP4.88
Rot. Bonds5

About 1-[2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]ethanol

1-[2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]ethanol (PubChem CID 21099378) has the molecular formula C22H19FO3S and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-[2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]ethanol.

Molecular Properties

Compound Name1-[2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]ethanol
PubChem CID21099378
Molecular FormulaC22H19FO3S
Molecular Weight382.46 g/mol
Exact Mass382.10
IUPAC Name1-[2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]ethanol
SMILESCC(O)c1ccccc1S(=O)(=O)c1ccc(/C=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C22H19FO3S/c1-16(24)21-4-2-3-5-22(21)27(25,26)20-14-10-18(11-15-20)7-6-17-8-12-19(23)13-9-17/h2-16,24H,1H3/b7-6+
InChIKeyVARRTAZUISVFHX-VOTSOKGWSA-N
XLogP4.88
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.88
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 1-[2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]ethanol?
The IUPAC name of 1-[2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]ethanol (CID 21099378) is 1-[2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]ethanol.
What is the SMILES notation for 1-[2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]ethanol?
The canonical SMILES for 1-[2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]ethanol is CC(O)c1ccccc1S(=O)(=O)c1ccc(/C=C/c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]ethanol?
The InChIKey is VARRTAZUISVFHX-VOTSOKGWSA-N. The full InChI is InChI=1S/C22H19FO3S/c1-16(24)21-4-2-3-5-22(21)27(25,26)20-14-10-18(11-15-20)7-6-17-8-12-19(23)13-9-17/h2-16,24H,1H3/b7-6+.
What are the key properties of 1-[2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]ethanol?
1-[2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]ethanol has a molecular weight of 382.46 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]ethanol is sourced from PubChem (CID 21099378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).