1-[(E)-2-(benzenesulfinyl)-2-fluoroethenyl]-4-phenylbenzene

C20H15FOS — CID 15156793

IUPAC1-[(E)-2-(benzenesulfinyl)-2-fluoroethenyl]-4-phenylbenzene
SMILESO=S(/C(F)=C/c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C20H15FOS/c21-20(23(22)19-9-5-2-6-10-19)15-16-11-13-18(14-12-16)17-7-3-1-4-8-17/h1-15H/b20-15+
InChIKeyJJGYICXOQWQUEK-HMMYKYKNSA-N
MW322.40 g/mol
LogP5.43
Rot. Bonds4

About 1-[(E)-2-(benzenesulfinyl)-2-fluoroethenyl]-4-phenylbenzene

1-[(E)-2-(benzenesulfinyl)-2-fluoroethenyl]-4-phenylbenzene (PubChem CID 15156793) has the molecular formula C20H15FOS and a molecular weight of 322.40 g/mol. Its IUPAC name is 1-[(E)-2-(benzenesulfinyl)-2-fluoroethenyl]-4-phenylbenzene.

Molecular Properties

Compound Name1-[(E)-2-(benzenesulfinyl)-2-fluoroethenyl]-4-phenylbenzene
PubChem CID15156793
Molecular FormulaC20H15FOS
Molecular Weight322.40 g/mol
Exact Mass322.08
IUPAC Name1-[(E)-2-(benzenesulfinyl)-2-fluoroethenyl]-4-phenylbenzene
SMILESO=S(/C(F)=C/c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C20H15FOS/c21-20(23(22)19-9-5-2-6-10-19)15-16-11-13-18(14-12-16)17-7-3-1-4-8-17/h1-15H/b20-15+
InChIKeyJJGYICXOQWQUEK-HMMYKYKNSA-N
XLogP5.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.40
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-(benzenesulfinyl)-2-fluoroethenyl]-4-phenylbenzene?
The IUPAC name of 1-[(E)-2-(benzenesulfinyl)-2-fluoroethenyl]-4-phenylbenzene (CID 15156793) is 1-[(E)-2-(benzenesulfinyl)-2-fluoroethenyl]-4-phenylbenzene.
What is the SMILES notation for 1-[(E)-2-(benzenesulfinyl)-2-fluoroethenyl]-4-phenylbenzene?
The canonical SMILES for 1-[(E)-2-(benzenesulfinyl)-2-fluoroethenyl]-4-phenylbenzene is O=S(/C(F)=C/c1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 1-[(E)-2-(benzenesulfinyl)-2-fluoroethenyl]-4-phenylbenzene?
The InChIKey is JJGYICXOQWQUEK-HMMYKYKNSA-N. The full InChI is InChI=1S/C20H15FOS/c21-20(23(22)19-9-5-2-6-10-19)15-16-11-13-18(14-12-16)17-7-3-1-4-8-17/h1-15H/b20-15+.
What are the key properties of 1-[(E)-2-(benzenesulfinyl)-2-fluoroethenyl]-4-phenylbenzene?
1-[(E)-2-(benzenesulfinyl)-2-fluoroethenyl]-4-phenylbenzene has a molecular weight of 322.40 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-(benzenesulfinyl)-2-fluoroethenyl]-4-phenylbenzene is sourced from PubChem (CID 15156793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).