2-[2-(4-tert-butylphenyl)sulfanylethoxy]ethanol

C14H22O2S — CID 61076775

IUPAC2-[2-(4-tert-butylphenyl)sulfanylethoxy]ethanol
SMILESCC(C)(C)c1ccc(SCCOCCO)cc1
InChIInChI=1S/C14H22O2S/c1-14(2,3)12-4-6-13(7-5-12)17-11-10-16-9-8-15/h4-7,15H,8-11H2,1-3H3
InChIKeyLBOYALRSZWTXPG-UHFFFAOYSA-N
MW254.39 g/mol
LogP3.09
Rot. Bonds6

About 2-[2-(4-tert-butylphenyl)sulfanylethoxy]ethanol

2-[2-(4-tert-butylphenyl)sulfanylethoxy]ethanol (PubChem CID 61076775) has the molecular formula C14H22O2S and a molecular weight of 254.39 g/mol. Its IUPAC name is 2-[2-(4-tert-butylphenyl)sulfanylethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(4-tert-butylphenyl)sulfanylethoxy]ethanol
PubChem CID61076775
Molecular FormulaC14H22O2S
Molecular Weight254.39 g/mol
Exact Mass254.13
IUPAC Name2-[2-(4-tert-butylphenyl)sulfanylethoxy]ethanol
SMILESCC(C)(C)c1ccc(SCCOCCO)cc1
InChIInChI=1S/C14H22O2S/c1-14(2,3)12-4-6-13(7-5-12)17-11-10-16-9-8-15/h4-7,15H,8-11H2,1-3H3
InChIKeyLBOYALRSZWTXPG-UHFFFAOYSA-N
XLogP3.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-((4-Tert-butylphenyl)sulfanyl)acetic acid
CID 252397
Ethanol, 2-[(4-methylphenyl)thio]-
CID 83313
1,2-Propanediol, 3-(p-tolylthio)-
CID 115625
1,3-Propanediol, 2-(p-(butylthio)phenyl)-2-ethyl-
CID 213096
Ethyl 3-(4-tert-butylphenyl)sulfanylpropanoate
CID 43093183
4,4'-Bis(2-hydroxyethylthio)biphenyl
CID 2192654
(2S,3S)-3-(4-tert-butylphenyl)sulfanylbutan-2-ol
CID 100924600
1-Tosyltetraethylene glycol
CID 21244009
2-(4-Methylphenyl)sulfanyl-1,4-dioxane
CID 102103303
2-(4-Phenylphenyl)sulfanylethanol
CID 116852645
Triethylene glycol monotosyl ester
CID 117680098
2-Fluoro-3-[2-hydroxy-1-(4-methylphenyl)sulfanylpropoxy]butane-1,4-diol
CID 70986865

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butylphenyl)sulfanylethoxy]ethanol?
The IUPAC name of 2-[2-(4-tert-butylphenyl)sulfanylethoxy]ethanol (CID 61076775) is 2-[2-(4-tert-butylphenyl)sulfanylethoxy]ethanol.
What is the SMILES notation for 2-[2-(4-tert-butylphenyl)sulfanylethoxy]ethanol?
The canonical SMILES for 2-[2-(4-tert-butylphenyl)sulfanylethoxy]ethanol is CC(C)(C)c1ccc(SCCOCCO)cc1.
What is the InChIKey of 2-[2-(4-tert-butylphenyl)sulfanylethoxy]ethanol?
The InChIKey is LBOYALRSZWTXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2S/c1-14(2,3)12-4-6-13(7-5-12)17-11-10-16-9-8-15/h4-7,15H,8-11H2,1-3H3.
What are the key properties of 2-[2-(4-tert-butylphenyl)sulfanylethoxy]ethanol?
2-[2-(4-tert-butylphenyl)sulfanylethoxy]ethanol has a molecular weight of 254.39 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butylphenyl)sulfanylethoxy]ethanol is sourced from PubChem (CID 61076775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).