[1-(4-hydroxyphenyl)-2-naphthalen-1-ylethyl]sulfanium hexafluorophosphate

C18H17F6OPS — CID 141276906

IUPAC[1-(4-hydroxyphenyl)-2-naphthalen-1-ylethyl]sulfanium hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.Oc1ccc(C([SH2+])Cc2cccc3ccccc23)cc1
InChIInChI=1S/C18H16OS.F6P/c19-16-10-8-14(9-11-16)18(20)12-15-6-3-5-13-4-1-2-7-17(13)15;1-7(2,3,4,5)6/h1-11,18-20H,12H2;/q;-1/p+1
InChIKeyVWJDDJAOCGFWBY-UHFFFAOYSA-O
MW426.36 g/mol
LogP7.22
Rot. Bonds3

About [1-(4-hydroxyphenyl)-2-naphthalen-1-ylethyl]sulfanium hexafluorophosphate

[1-(4-hydroxyphenyl)-2-naphthalen-1-ylethyl]sulfanium hexafluorophosphate (PubChem CID 141276906) has the molecular formula C18H17F6OPS and a molecular weight of 426.36 g/mol. Its IUPAC name is [1-(4-hydroxyphenyl)-2-naphthalen-1-ylethyl]sulfanium hexafluorophosphate.

Molecular Properties

Compound Name[1-(4-hydroxyphenyl)-2-naphthalen-1-ylethyl]sulfanium hexafluorophosphate
PubChem CID141276906
Molecular FormulaC18H17F6OPS
Molecular Weight426.36 g/mol
Exact Mass426.06
IUPAC Name[1-(4-hydroxyphenyl)-2-naphthalen-1-ylethyl]sulfanium hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.Oc1ccc(C([SH2+])Cc2cccc3ccccc23)cc1
InChIInChI=1S/C18H16OS.F6P/c19-16-10-8-14(9-11-16)18(20)12-15-6-3-5-13-4-1-2-7-17(13)15;1-7(2,3,4,5)6/h1-11,18-20H,12H2;/q;-1/p+1
InChIKeyVWJDDJAOCGFWBY-UHFFFAOYSA-O
XLogP7.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.36
LogP ≤ 57.22
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': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4-[(1-naphthalen-1-ylpropan-2-ylamino)methyl]phenol
CID 129056722
1-chloro-2-naphthalen-1-ylethanol
CID 54087449
1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol
CID 62963158
1-[2-chloro-2-(4-fluorophenyl)ethyl]naphthalene
CID 63519540
4-(naphthalen-1-ylmethylamino)phenol
CID 918435
2-methyl-3-naphthalen-1-ylpropane-1,1-diol
CID 20647931
(2S)-2-amino-3-naphthalen-1-ylpropan-1-ol
CID 57252069
(4-hydroxyphenyl)methyl-(naphthalen-1-ylmethyl)sulfanium chloride
CID 157295509
1-(2-chloropropyl)naphthalene
CID 12809422
1-[2-bromo-2-(4-chlorophenyl)ethyl]naphthalene
CID 63543264
1-(2,2-diethoxyethyl)naphthalene
CID 146004800
hexafluoroantimony(1-);(4-hydroxyphenyl)-methyl-(naphthalen-1-ylmethyl)sulfanium
CID 19969039

Frequently Asked Questions

What is the IUPAC name of [1-(4-hydroxyphenyl)-2-naphthalen-1-ylethyl]sulfanium hexafluorophosphate?
The IUPAC name of [1-(4-hydroxyphenyl)-2-naphthalen-1-ylethyl]sulfanium hexafluorophosphate (CID 141276906) is [1-(4-hydroxyphenyl)-2-naphthalen-1-ylethyl]sulfanium hexafluorophosphate.
What is the SMILES notation for [1-(4-hydroxyphenyl)-2-naphthalen-1-ylethyl]sulfanium hexafluorophosphate?
The canonical SMILES for [1-(4-hydroxyphenyl)-2-naphthalen-1-ylethyl]sulfanium hexafluorophosphate is F[P-](F)(F)(F)(F)F.Oc1ccc(C([SH2+])Cc2cccc3ccccc23)cc1.
What is the InChIKey of [1-(4-hydroxyphenyl)-2-naphthalen-1-ylethyl]sulfanium hexafluorophosphate?
The InChIKey is VWJDDJAOCGFWBY-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H16OS.F6P/c19-16-10-8-14(9-11-16)18(20)12-15-6-3-5-13-4-1-2-7-17(13)15;1-7(2,3,4,5)6/h1-11,18-20H,12H2;/q;-1/p+1.
What are the key properties of [1-(4-hydroxyphenyl)-2-naphthalen-1-ylethyl]sulfanium hexafluorophosphate?
[1-(4-hydroxyphenyl)-2-naphthalen-1-ylethyl]sulfanium hexafluorophosphate has a molecular weight of 426.36 g/mol, XLogP of 7.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-hydroxyphenyl)-2-naphthalen-1-ylethyl]sulfanium hexafluorophosphate is sourced from PubChem (CID 141276906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).