2-[2-(4-methylphenyl)sulfanyloxyethoxy]ethanol

C11H16O3S — CID 142608079

IUPAC2-[2-(4-methylphenyl)sulfanyloxyethoxy]ethanol
SMILESCc1ccc(SOCCOCCO)cc1
InChIInChI=1S/C11H16O3S/c1-10-2-4-11(5-3-10)15-14-9-8-13-7-6-12/h2-5,12H,6-9H2,1H3
InChIKeyQKRACDMLODHNKE-UHFFFAOYSA-N
MW228.31 g/mol
LogP2.03
Rot. Bonds7

About 2-[2-(4-methylphenyl)sulfanyloxyethoxy]ethanol

2-[2-(4-methylphenyl)sulfanyloxyethoxy]ethanol (PubChem CID 142608079) has the molecular formula C11H16O3S and a molecular weight of 228.31 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)sulfanyloxyethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(4-methylphenyl)sulfanyloxyethoxy]ethanol
PubChem CID142608079
Molecular FormulaC11H16O3S
Molecular Weight228.31 g/mol
Exact Mass228.08
IUPAC Name2-[2-(4-methylphenyl)sulfanyloxyethoxy]ethanol
SMILESCc1ccc(SOCCOCCO)cc1
InChIInChI=1S/C11H16O3S/c1-10-2-4-11(5-3-10)15-14-9-8-13-7-6-12/h2-5,12H,6-9H2,1H3
InChIKeyQKRACDMLODHNKE-UHFFFAOYSA-N
XLogP2.03
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-((4-Methylbenzenesulfonyl)oxy)ethan-1-ol
CID 249155
Ethanol, 2-methoxy-, 1-(4-methylbenzenesulfonate)
CID 86977
2-[2-(2-(18F)fluoroethoxy)ethoxy]ethyl 4-methylbenzenesulfonate
CID 71462616
2-Ethoxyethyl 4-methylbenzene-1-sulfonate
CID 4125390
sn-Glyceryl 1-p-toluenesulfonate
CID 11413915
2-(2-(2-(2-Hydroxyethoxy)ethoxy)ethoxy)ethyl 4-methylbenzenesulfonate
CID 13456094
2-(2-(18F)fluoroethoxy)ethyl 4-methylbenzenesulfonate
CID 71460920
2-Butoxyethyl tosylate
CID 81178
Ethyl 4-methylbenzene-1-sulfinate
CID 329520
2-(2-Hydroxyethoxy)Ethyl 4-Methylbenzenesulfonate
CID 11253971
1-Methoxypropan-2-yl 4-methylbenzenesulfonate
CID 12700774
2-Methyl-1-((4-methylbenzenesulfonyl)oxy)propan-2-ol
CID 23255223

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylphenyl)sulfanyloxyethoxy]ethanol?
The IUPAC name of 2-[2-(4-methylphenyl)sulfanyloxyethoxy]ethanol (CID 142608079) is 2-[2-(4-methylphenyl)sulfanyloxyethoxy]ethanol.
What is the SMILES notation for 2-[2-(4-methylphenyl)sulfanyloxyethoxy]ethanol?
The canonical SMILES for 2-[2-(4-methylphenyl)sulfanyloxyethoxy]ethanol is Cc1ccc(SOCCOCCO)cc1.
What is the InChIKey of 2-[2-(4-methylphenyl)sulfanyloxyethoxy]ethanol?
The InChIKey is QKRACDMLODHNKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3S/c1-10-2-4-11(5-3-10)15-14-9-8-13-7-6-12/h2-5,12H,6-9H2,1H3.
What are the key properties of 2-[2-(4-methylphenyl)sulfanyloxyethoxy]ethanol?
2-[2-(4-methylphenyl)sulfanyloxyethoxy]ethanol has a molecular weight of 228.31 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylphenyl)sulfanyloxyethoxy]ethanol is sourced from PubChem (CID 142608079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).