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

C21H17FO3S — CID 11559695

IUPAC[2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]methanol
SMILESO=S(=O)(c1ccc(/C=C/c2ccc(F)cc2)cc1)c1ccccc1CO
InChIInChI=1S/C21H17FO3S/c22-19-11-7-16(8-12-19)5-6-17-9-13-20(14-10-17)26(24,25)21-4-2-1-3-18(21)15-23/h1-14,23H,15H2/b6-5+
InChIKeyFVPLZFJOCQVBPV-AATRIKPKSA-N
MW368.43 g/mol
LogP4.32
Rot. Bonds5

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

[2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]methanol (PubChem CID 11559695) has the molecular formula C21H17FO3S and a molecular weight of 368.43 g/mol. Its IUPAC name is [2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]methanol.

Molecular Properties

Compound Name[2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]methanol
PubChem CID11559695
Molecular FormulaC21H17FO3S
Molecular Weight368.43 g/mol
Exact Mass368.09
IUPAC Name[2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]methanol
SMILESO=S(=O)(c1ccc(/C=C/c2ccc(F)cc2)cc1)c1ccccc1CO
InChIInChI=1S/C21H17FO3S/c22-19-11-7-16(8-12-19)5-6-17-9-13-20(14-10-17)26(24,25)21-4-2-1-3-18(21)15-23/h1-14,23H,15H2/b6-5+
InChIKeyFVPLZFJOCQVBPV-AATRIKPKSA-N
XLogP4.32
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 54.32
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-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]methanol?
The IUPAC name of [2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]methanol (CID 11559695) is [2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]methanol.
What is the SMILES notation for [2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]methanol?
The canonical SMILES for [2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]methanol is O=S(=O)(c1ccc(/C=C/c2ccc(F)cc2)cc1)c1ccccc1CO.
What is the InChIKey of [2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]methanol?
The InChIKey is FVPLZFJOCQVBPV-AATRIKPKSA-N. The full InChI is InChI=1S/C21H17FO3S/c22-19-11-7-16(8-12-19)5-6-17-9-13-20(14-10-17)26(24,25)21-4-2-1-3-18(21)15-23/h1-14,23H,15H2/b6-5+.
What are the key properties of [2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]methanol?
[2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]methanol has a molecular weight of 368.43 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]sulfonylphenyl]methanol is sourced from PubChem (CID 11559695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).