(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium

C18H14FOS+ — CID 156684834

IUPAC(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium
SMILESOc1cc([S+](c2ccccc2)c2ccccc2)ccc1F
InChIInChI=1S/C18H13FOS/c19-17-12-11-16(13-18(17)20)21(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H/p+1
InChIKeyGPHNQCRUJBFYOY-UHFFFAOYSA-O
MW297.37 g/mol
LogP4.63
Rot. Bonds3

About (4-fluoro-3-hydroxyphenyl)-diphenylsulfanium

(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium (PubChem CID 156684834) has the molecular formula C18H14FOS+ and a molecular weight of 297.37 g/mol. Its IUPAC name is (4-fluoro-3-hydroxyphenyl)-diphenylsulfanium.

Molecular Properties

Compound Name(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium
PubChem CID156684834
Molecular FormulaC18H14FOS+
Molecular Weight297.37 g/mol
Exact Mass297.07
IUPAC Name(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium
SMILESOc1cc([S+](c2ccccc2)c2ccccc2)ccc1F
InChIInChI=1S/C18H13FOS/c19-17-12-11-16(13-18(17)20)21(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H/p+1
InChIKeyGPHNQCRUJBFYOY-UHFFFAOYSA-O
XLogP4.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4-fluoro-3-hydroxyphenyl)-diphenylsulfanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-hydroxyphenyl)-diphenylsulfanium?
The IUPAC name of (4-fluoro-3-hydroxyphenyl)-diphenylsulfanium (CID 156684834) is (4-fluoro-3-hydroxyphenyl)-diphenylsulfanium.
What is the SMILES notation for (4-fluoro-3-hydroxyphenyl)-diphenylsulfanium?
The canonical SMILES for (4-fluoro-3-hydroxyphenyl)-diphenylsulfanium is Oc1cc([S+](c2ccccc2)c2ccccc2)ccc1F.
What is the InChIKey of (4-fluoro-3-hydroxyphenyl)-diphenylsulfanium?
The InChIKey is GPHNQCRUJBFYOY-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H13FOS/c19-17-12-11-16(13-18(17)20)21(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13H/p+1.
What are the key properties of (4-fluoro-3-hydroxyphenyl)-diphenylsulfanium?
(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium has a molecular weight of 297.37 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-hydroxyphenyl)-diphenylsulfanium is sourced from PubChem (CID 156684834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).