(4-hydroxyphenyl)-(2-phenylethyl)sulfanium tetrafluoroborate

C14H15BF4OS — CID 139696087

IUPAC(4-hydroxyphenyl)-(2-phenylethyl)sulfanium tetrafluoroborate
SMILESF[B-](F)(F)F.Oc1ccc([SH+]CCc2ccccc2)cc1
InChIInChI=1S/C14H14OS.BF4/c15-13-6-8-14(9-7-13)16-11-10-12-4-2-1-3-5-12;2-1(3,4)5/h1-9,15H,10-11H2;/q;-1/p+1
InChIKeyGJXKKPNOVIKAOX-UHFFFAOYSA-O
MW318.14 g/mol
LogP4.11
Rot. Bonds4

About (4-hydroxyphenyl)-(2-phenylethyl)sulfanium tetrafluoroborate

(4-hydroxyphenyl)-(2-phenylethyl)sulfanium tetrafluoroborate (PubChem CID 139696087) has the molecular formula C14H15BF4OS and a molecular weight of 318.14 g/mol. Its IUPAC name is (4-hydroxyphenyl)-(2-phenylethyl)sulfanium tetrafluoroborate.

Molecular Properties

Compound Name(4-hydroxyphenyl)-(2-phenylethyl)sulfanium tetrafluoroborate
PubChem CID139696087
Molecular FormulaC14H15BF4OS
Molecular Weight318.14 g/mol
Exact Mass318.09
IUPAC Name(4-hydroxyphenyl)-(2-phenylethyl)sulfanium tetrafluoroborate
SMILESF[B-](F)(F)F.Oc1ccc([SH+]CCc2ccccc2)cc1
InChIInChI=1S/C14H14OS.BF4/c15-13-6-8-14(9-7-13)16-11-10-12-4-2-1-3-5-12;2-1(3,4)5/h1-9,15H,10-11H2;/q;-1/p+1
InChIKeyGJXKKPNOVIKAOX-UHFFFAOYSA-O
XLogP4.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.14
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(4-hydroxyphenyl)-(2-phenylethyl)sulfanium;methyl sulfate
CID 159214011
potassium;hydride;2-phenylethanol;tritetrafluoroborate
CID 173023580
bis(benzene-1,4-diol);benzylbenzene
CID 159915102
4-(2-phenylethylphosphanyl)phenol
CID 150809826
phenol;propylbenzene
CID 18469730
4-[1-(4-hydroxyphenyl)-3-phenylpropyl]phenol
CID 13030783
bromomethylbenzene;phenol
CID 67440564
CID 131886054
CID 131886054
benzene-1,4-diol;bis(1,1'-biphenyl)
CID 161250566
4-(2-benzylsulfanylethyl)phenol
CID 160730782
phenol;4-phenylbutan-2-one
CID 160537429
ethane;4-(4-hydroxyphenyl)phenol;propylbenzene
CID 174751919

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-(2-phenylethyl)sulfanium tetrafluoroborate?
The IUPAC name of (4-hydroxyphenyl)-(2-phenylethyl)sulfanium tetrafluoroborate (CID 139696087) is (4-hydroxyphenyl)-(2-phenylethyl)sulfanium tetrafluoroborate.
What is the SMILES notation for (4-hydroxyphenyl)-(2-phenylethyl)sulfanium tetrafluoroborate?
The canonical SMILES for (4-hydroxyphenyl)-(2-phenylethyl)sulfanium tetrafluoroborate is F[B-](F)(F)F.Oc1ccc([SH+]CCc2ccccc2)cc1.
What is the InChIKey of (4-hydroxyphenyl)-(2-phenylethyl)sulfanium tetrafluoroborate?
The InChIKey is GJXKKPNOVIKAOX-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H14OS.BF4/c15-13-6-8-14(9-7-13)16-11-10-12-4-2-1-3-5-12;2-1(3,4)5/h1-9,15H,10-11H2;/q;-1/p+1.
What are the key properties of (4-hydroxyphenyl)-(2-phenylethyl)sulfanium tetrafluoroborate?
(4-hydroxyphenyl)-(2-phenylethyl)sulfanium tetrafluoroborate has a molecular weight of 318.14 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-(2-phenylethyl)sulfanium tetrafluoroborate is sourced from PubChem (CID 139696087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).