[4-(2-hydroxyethoxy)phenyl]-oxosulfanium

C8H9O3S+ — CID 175309194

IUPAC[4-(2-hydroxyethoxy)phenyl]-oxosulfanium
SMILESO=[S+]c1ccc(OCCO)cc1
InChIInChI=1S/C8H9O3S/c9-5-6-11-7-1-3-8(12-10)4-2-7/h1-4,9H,5-6H2/q+1
InChIKeyNTNXRXIBJFTZOC-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.84
Rot. Bonds4

About [4-(2-hydroxyethoxy)phenyl]-oxosulfanium

[4-(2-hydroxyethoxy)phenyl]-oxosulfanium (PubChem CID 175309194) has the molecular formula C8H9O3S+ and a molecular weight of 185.22 g/mol. Its IUPAC name is [4-(2-hydroxyethoxy)phenyl]-oxosulfanium.

Molecular Properties

Compound Name[4-(2-hydroxyethoxy)phenyl]-oxosulfanium
PubChem CID175309194
Molecular FormulaC8H9O3S+
Molecular Weight185.22 g/mol
Exact Mass185.03
IUPAC Name[4-(2-hydroxyethoxy)phenyl]-oxosulfanium
SMILESO=[S+]c1ccc(OCCO)cc1
InChIInChI=1S/C8H9O3S/c9-5-6-11-7-1-3-8(12-10)4-2-7/h1-4,9H,5-6H2/q+1
InChIKeyNTNXRXIBJFTZOC-UHFFFAOYSA-N
XLogP0.84
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-(2-hydroxyethoxy)phenyl]-oxosulfanium 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

CID 162335780
CID 162335780
2-[4-[4-(2-hydroxyethoxy)phenyl]sulfinylsulfinylphenoxy]ethanol
CID 139605342
CID 90413070
CID 90413070
2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711
2-[4-[1,1,1,3,3,3-hexafluoro-2-[4-(2-hydroxyethoxy)phenyl]propan-2-yl]phenoxy]ethanol
CID 14533806
2-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-ol
CID 117300551
4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol
CID 71340264
2-(4-methylphenoxy)ethanol;thionyl dichloride
CID 91035331
2-[4-[1-[4-(2-hydroxyethoxy)phenyl]ethyl]phenoxy]ethanol
CID 20544404
bis[[4-(2-hydroxyethoxy)phenyl]methyl]azanium
CID 102448547
2-(4-dimethylboranylphenoxy)ethanol
CID 58852404
formic acid;2-phenoxyethanol
CID 71438669

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethoxy)phenyl]-oxosulfanium?
The IUPAC name of [4-(2-hydroxyethoxy)phenyl]-oxosulfanium (CID 175309194) is [4-(2-hydroxyethoxy)phenyl]-oxosulfanium.
What is the SMILES notation for [4-(2-hydroxyethoxy)phenyl]-oxosulfanium?
The canonical SMILES for [4-(2-hydroxyethoxy)phenyl]-oxosulfanium is O=[S+]c1ccc(OCCO)cc1.
What is the InChIKey of [4-(2-hydroxyethoxy)phenyl]-oxosulfanium?
The InChIKey is NTNXRXIBJFTZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O3S/c9-5-6-11-7-1-3-8(12-10)4-2-7/h1-4,9H,5-6H2/q+1.
What are the key properties of [4-(2-hydroxyethoxy)phenyl]-oxosulfanium?
[4-(2-hydroxyethoxy)phenyl]-oxosulfanium has a molecular weight of 185.22 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethoxy)phenyl]-oxosulfanium is sourced from PubChem (CID 175309194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).