2-(2-methylsulfonylphenoxy)ethyl methanesulfonate

C10H14O6S2 — CID 121418636

IUPAC2-(2-methylsulfonylphenoxy)ethyl methanesulfonate
SMILESCS(=O)(=O)OCCOc1ccccc1S(C)(=O)=O
InChIInChI=1S/C10H14O6S2/c1-17(11,12)10-6-4-3-5-9(10)15-7-8-16-18(2,13)14/h3-6H,7-8H2,1-2H3
InChIKeyCEALHKXELNELAL-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.45
Rot. Bonds6

About 2-(2-methylsulfonylphenoxy)ethyl methanesulfonate

2-(2-methylsulfonylphenoxy)ethyl methanesulfonate (PubChem CID 121418636) has the molecular formula C10H14O6S2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-(2-methylsulfonylphenoxy)ethyl methanesulfonate.

Molecular Properties

Compound Name2-(2-methylsulfonylphenoxy)ethyl methanesulfonate
PubChem CID121418636
Molecular FormulaC10H14O6S2
Molecular Weight294.35 g/mol
Exact Mass294.02
IUPAC Name2-(2-methylsulfonylphenoxy)ethyl methanesulfonate
SMILESCS(=O)(=O)OCCOc1ccccc1S(C)(=O)=O
InChIInChI=1S/C10H14O6S2/c1-17(11,12)10-6-4-3-5-9(10)15-7-8-16-18(2,13)14/h3-6H,7-8H2,1-2H3
InChIKeyCEALHKXELNELAL-UHFFFAOYSA-N
XLogP0.45
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethylphenoxy)ethyl methanesulfonate
CID 19809138
N-[2-(2-methylsulfonylphenoxy)ethyl]propan-1-amine
CID 55065540
2-[4-(2-methylsulfonyloxyethoxy)phenoxy]ethyl methanesulfonate
CID 11121773
1-methylsulfonyl-2-(nitromethoxy)benzene
CID 90892555
2-(2-methylphenoxy)ethyl 2-methylsulfonylbenzoate
CID 7724426
2-(2-methoxyethoxy)benzenesulfonyl chloride
CID 75466193
2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethyl methanesulfonate
CID 87870295
3-(2-ethynylphenoxy)propyl methanesulfonate
CID 121012173
2-[1-[(2-methoxynaphthalen-1-yl)methyl]naphthalen-2-yl]oxyethyl methanesulfonate
CID 166589868
2-[2-(3-phenylpropoxy)phenyl]ethyl methanesulfonate
CID 166852203
2-butoxybenzenesulfonyl chloride
CID 21253032
2-butoxybenzenesulfonic acid
CID 22564598

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylsulfonylphenoxy)ethyl methanesulfonate?
The IUPAC name of 2-(2-methylsulfonylphenoxy)ethyl methanesulfonate (CID 121418636) is 2-(2-methylsulfonylphenoxy)ethyl methanesulfonate.
What is the SMILES notation for 2-(2-methylsulfonylphenoxy)ethyl methanesulfonate?
The canonical SMILES for 2-(2-methylsulfonylphenoxy)ethyl methanesulfonate is CS(=O)(=O)OCCOc1ccccc1S(C)(=O)=O.
What is the InChIKey of 2-(2-methylsulfonylphenoxy)ethyl methanesulfonate?
The InChIKey is CEALHKXELNELAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O6S2/c1-17(11,12)10-6-4-3-5-9(10)15-7-8-16-18(2,13)14/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-(2-methylsulfonylphenoxy)ethyl methanesulfonate?
2-(2-methylsulfonylphenoxy)ethyl methanesulfonate has a molecular weight of 294.35 g/mol, XLogP of 0.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylsulfonylphenoxy)ethyl methanesulfonate is sourced from PubChem (CID 121418636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).