2-[4-[4-(2-hydroxyethoxy)phenyl]sulfinylsulfinylphenoxy]ethanol

C16H18O6S2 — CID 139605342

IUPAC2-[4-[4-(2-hydroxyethoxy)phenyl]sulfinylsulfinylphenoxy]ethanol
SMILESO=S(c1ccc(OCCO)cc1)S(=O)c1ccc(OCCO)cc1
InChIInChI=1S/C16H18O6S2/c17-9-11-21-13-1-5-15(6-2-13)23(19)24(20)16-7-3-14(4-8-16)22-12-10-18/h1-8,17-18H,9-12H2
InChIKeyVJPOPEOZPZPKMH-UHFFFAOYSA-N
MW370.45 g/mol
LogP1.26
Rot. Bonds9

About 2-[4-[4-(2-hydroxyethoxy)phenyl]sulfinylsulfinylphenoxy]ethanol

2-[4-[4-(2-hydroxyethoxy)phenyl]sulfinylsulfinylphenoxy]ethanol (PubChem CID 139605342) has the molecular formula C16H18O6S2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[4-[4-(2-hydroxyethoxy)phenyl]sulfinylsulfinylphenoxy]ethanol.

Molecular Properties

Compound Name2-[4-[4-(2-hydroxyethoxy)phenyl]sulfinylsulfinylphenoxy]ethanol
PubChem CID139605342
Molecular FormulaC16H18O6S2
Molecular Weight370.45 g/mol
Exact Mass370.05
IUPAC Name2-[4-[4-(2-hydroxyethoxy)phenyl]sulfinylsulfinylphenoxy]ethanol
SMILESO=S(c1ccc(OCCO)cc1)S(=O)c1ccc(OCCO)cc1
InChIInChI=1S/C16H18O6S2/c17-9-11-21-13-1-5-15(6-2-13)23(19)24(20)16-7-3-14(4-8-16)22-12-10-18/h1-8,17-18H,9-12H2
InChIKeyVJPOPEOZPZPKMH-UHFFFAOYSA-N
XLogP1.26
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

CID 162335780
CID 162335780
2-(4-methylphenoxy)ethanol;thionyl dichloride
CID 91035331
4-(2-fluoroethoxy)benzenesulfinic acid
CID 123969802
2-[2-[2-[2-[2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 102253711
[4-(2-hydroxyethoxy)phenyl]-oxosulfanium
CID 175309194
2-(4-dimethylboranylphenoxy)ethanol
CID 58852404
CID 90413070
CID 90413070
2-(4-prop-1-enylphenoxy)ethanol
CID 54412247
1-(2-fluoroethoxy)-4-methylsulfinylbenzene
CID 15058664
4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol
CID 71340264
formic acid;2-phenoxyethanol
CID 71438669
bis[[4-(2-hydroxyethoxy)phenyl]methyl]azanium
CID 102448547

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-hydroxyethoxy)phenyl]sulfinylsulfinylphenoxy]ethanol?
The IUPAC name of 2-[4-[4-(2-hydroxyethoxy)phenyl]sulfinylsulfinylphenoxy]ethanol (CID 139605342) is 2-[4-[4-(2-hydroxyethoxy)phenyl]sulfinylsulfinylphenoxy]ethanol.
What is the SMILES notation for 2-[4-[4-(2-hydroxyethoxy)phenyl]sulfinylsulfinylphenoxy]ethanol?
The canonical SMILES for 2-[4-[4-(2-hydroxyethoxy)phenyl]sulfinylsulfinylphenoxy]ethanol is O=S(c1ccc(OCCO)cc1)S(=O)c1ccc(OCCO)cc1.
What is the InChIKey of 2-[4-[4-(2-hydroxyethoxy)phenyl]sulfinylsulfinylphenoxy]ethanol?
The InChIKey is VJPOPEOZPZPKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O6S2/c17-9-11-21-13-1-5-15(6-2-13)23(19)24(20)16-7-3-14(4-8-16)22-12-10-18/h1-8,17-18H,9-12H2.
What are the key properties of 2-[4-[4-(2-hydroxyethoxy)phenyl]sulfinylsulfinylphenoxy]ethanol?
2-[4-[4-(2-hydroxyethoxy)phenyl]sulfinylsulfinylphenoxy]ethanol has a molecular weight of 370.45 g/mol, XLogP of 1.26, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-hydroxyethoxy)phenyl]sulfinylsulfinylphenoxy]ethanol is sourced from PubChem (CID 139605342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).