bis[4-(2-hydroxyethoxy)phenyl]-phenylsulfanium hexafluorophosphate

C22H23F6O4PS — CID 141214793

IUPACbis[4-(2-hydroxyethoxy)phenyl]-phenylsulfanium hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.OCCOc1ccc([S+](c2ccccc2)c2ccc(OCCO)cc2)cc1
InChIInChI=1S/C22H23O4S.F6P/c23-14-16-25-18-6-10-21(11-7-18)27(20-4-2-1-3-5-20)22-12-8-19(9-13-22)26-17-15-24;1-7(2,3,4,5)6/h1-13,23-24H,14-17H2;/q+1;-1
InChIKeyZRILVUYKKXFVGX-UHFFFAOYSA-N
MW528.45 g/mol
LogP6.91
Rot. Bonds9

About bis[4-(2-hydroxyethoxy)phenyl]-phenylsulfanium hexafluorophosphate

bis[4-(2-hydroxyethoxy)phenyl]-phenylsulfanium hexafluorophosphate (PubChem CID 141214793) has the molecular formula C22H23F6O4PS and a molecular weight of 528.45 g/mol. Its IUPAC name is bis[4-(2-hydroxyethoxy)phenyl]-phenylsulfanium hexafluorophosphate.

Molecular Properties

Compound Namebis[4-(2-hydroxyethoxy)phenyl]-phenylsulfanium hexafluorophosphate
PubChem CID141214793
Molecular FormulaC22H23F6O4PS
Molecular Weight528.45 g/mol
Exact Mass528.10
IUPAC Namebis[4-(2-hydroxyethoxy)phenyl]-phenylsulfanium hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.OCCOc1ccc([S+](c2ccccc2)c2ccc(OCCO)cc2)cc1
InChIInChI=1S/C22H23O4S.F6P/c23-14-16-25-18-6-10-21(11-7-18)27(20-4-2-1-3-5-20)22-12-8-19(9-13-22)26-17-15-24;1-7(2,3,4,5)6/h1-13,23-24H,14-17H2;/q+1;-1
InChIKeyZRILVUYKKXFVGX-UHFFFAOYSA-N
XLogP6.91
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.45
LogP ≤ 56.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis[4-(2-hydroxyethoxy)phenyl]-phenylsulfanium hexafluorophosphate with MolForge

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

Launch Full Analysis

Related Compounds

bis(4-octadecoxyphenyl)-phenylsulfanium hexafluorophosphate
CID 22342239
bis([4-[4-bis[4-(2-hydroxyethoxy)phenyl]sulfoniophenyl]sulfanylphenyl]-bis[4-(2-hydroxyethoxy)phenyl]sulfanium);pentafluoro-λ5-stibane;tetrafluoro-λ5-stibane;difluoride;dihexafluorophosphate;hydrofluoride
CID 162167063
[4-[4-bis(4-fluorophenyl)sulfoniophenyl]sulfanylphenyl]-bis(4-fluorophenyl)sulfanium;[4-[4-bis[4-(2-hydroxyethoxy)phenyl]sulfoniophenyl]sulfanylphenyl]-bis[4-(2-hydroxyethoxy)phenyl]sulfanium
CID 158928680
CID 162335780
CID 162335780
diphenyl-[4-(2-propan-2-yloxyethoxy)phenyl]sulfanium
CID 59584286
bis[4-(2-ethenoxyethoxy)phenyl]-phenylsulfanium
CID 59319783
bis(4-hydroxyphenyl)-phenylsulfanium hexafluorophosphate
CID 23132993
formic acid;2-phenoxyethanol
CID 71438669
diphenyl-(4-undecoxyphenyl)sulfanium acetate
CID 162330387
(4-pentoxyphenyl)-diphenylsulfanium;trifluoromethanesulfonate
CID 158064907
2-(2-phenoxyethoxy)ethanol
CID 7715
[4-(2-hydroxyethoxy)phenyl]-oxosulfanium
CID 175309194

Frequently Asked Questions

What is the IUPAC name of bis[4-(2-hydroxyethoxy)phenyl]-phenylsulfanium hexafluorophosphate?
The IUPAC name of bis[4-(2-hydroxyethoxy)phenyl]-phenylsulfanium hexafluorophosphate (CID 141214793) is bis[4-(2-hydroxyethoxy)phenyl]-phenylsulfanium hexafluorophosphate.
What is the SMILES notation for bis[4-(2-hydroxyethoxy)phenyl]-phenylsulfanium hexafluorophosphate?
The canonical SMILES for bis[4-(2-hydroxyethoxy)phenyl]-phenylsulfanium hexafluorophosphate is F[P-](F)(F)(F)(F)F.OCCOc1ccc([S+](c2ccccc2)c2ccc(OCCO)cc2)cc1.
What is the InChIKey of bis[4-(2-hydroxyethoxy)phenyl]-phenylsulfanium hexafluorophosphate?
The InChIKey is ZRILVUYKKXFVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23O4S.F6P/c23-14-16-25-18-6-10-21(11-7-18)27(20-4-2-1-3-5-20)22-12-8-19(9-13-22)26-17-15-24;1-7(2,3,4,5)6/h1-13,23-24H,14-17H2;/q+1;-1.
What are the key properties of bis[4-(2-hydroxyethoxy)phenyl]-phenylsulfanium hexafluorophosphate?
bis[4-(2-hydroxyethoxy)phenyl]-phenylsulfanium hexafluorophosphate has a molecular weight of 528.45 g/mol, XLogP of 6.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(2-hydroxyethoxy)phenyl]-phenylsulfanium hexafluorophosphate is sourced from PubChem (CID 141214793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).