methyl 2-(2-methylsulfonyloxyphenyl)acetate

C10H12O5S — CID 140986015

IUPACmethyl 2-(2-methylsulfonyloxyphenyl)acetate
SMILESCOC(=O)Cc1ccccc1OS(C)(=O)=O
InChIInChI=1S/C10H12O5S/c1-14-10(11)7-8-5-3-4-6-9(8)15-16(2,12)13/h3-6H,7H2,1-2H3
InChIKeyNZNVWKKNCYJEOI-UHFFFAOYSA-N
MW244.27 g/mol
LogP0.74
Rot. Bonds4

About methyl 2-(2-methylsulfonyloxyphenyl)acetate

methyl 2-(2-methylsulfonyloxyphenyl)acetate (PubChem CID 140986015) has the molecular formula C10H12O5S and a molecular weight of 244.27 g/mol. Its IUPAC name is methyl 2-(2-methylsulfonyloxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-methylsulfonyloxyphenyl)acetate
PubChem CID140986015
Molecular FormulaC10H12O5S
Molecular Weight244.27 g/mol
Exact Mass244.04
IUPAC Namemethyl 2-(2-methylsulfonyloxyphenyl)acetate
SMILESCOC(=O)Cc1ccccc1OS(C)(=O)=O
InChIInChI=1S/C10H12O5S/c1-14-10(11)7-8-5-3-4-6-9(8)15-16(2,12)13/h3-6H,7H2,1-2H3
InChIKeyNZNVWKKNCYJEOI-UHFFFAOYSA-N
XLogP0.74
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-(2-methylsulfonyloxyacetyl)phenyl]acetate
CID 11312187
methyl 2-[2-hydroxy-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356446
methyl 2-[2-[bis(methylsulfonyl)amino]phenyl]acetate
CID 69384728
methyl 2-[2-[[dimethyl(oxo)-λ6-sulfanylidene]amino]phenyl]acetate
CID 166663337
[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl] methanesulfonate
CID 175577390
methyl 2-[2-[2-(methylamino)ethoxy]phenyl]acetate
CID 117054245
methyl 2-[2-(2-oxopropyl)phenyl]acetate
CID 70551388
(2-hydroxyphenyl) methanesulfonate
CID 13248339
methyl 2-[2-(2-methylsulfonylethylsulfonylmethyl)phenyl]acetate
CID 115461314
methyl 2-(2-octoxyphenyl)acetate
CID 70186261
2-(2-methoxy-2-oxoethyl)phenolate
CID 19356399
ethane;methyl 2-(2-methylphenyl)acetate
CID 142489189

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylsulfonyloxyphenyl)acetate?
The IUPAC name of methyl 2-(2-methylsulfonyloxyphenyl)acetate (CID 140986015) is methyl 2-(2-methylsulfonyloxyphenyl)acetate.
What is the SMILES notation for methyl 2-(2-methylsulfonyloxyphenyl)acetate?
The canonical SMILES for methyl 2-(2-methylsulfonyloxyphenyl)acetate is COC(=O)Cc1ccccc1OS(C)(=O)=O.
What is the InChIKey of methyl 2-(2-methylsulfonyloxyphenyl)acetate?
The InChIKey is NZNVWKKNCYJEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O5S/c1-14-10(11)7-8-5-3-4-6-9(8)15-16(2,12)13/h3-6H,7H2,1-2H3.
What are the key properties of methyl 2-(2-methylsulfonyloxyphenyl)acetate?
methyl 2-(2-methylsulfonyloxyphenyl)acetate has a molecular weight of 244.27 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylsulfonyloxyphenyl)acetate is sourced from PubChem (CID 140986015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).