methyl 2-(4-hydroxyphenyl)sulfonyloxyacetate

C9H10O6S — CID 137357175

IUPACmethyl 2-(4-hydroxyphenyl)sulfonyloxyacetate
SMILESCOC(=O)COS(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C9H10O6S/c1-14-9(11)6-15-16(12,13)8-4-2-7(10)3-5-8/h2-5,10H,6H2,1H3
InChIKeyVUOQKTHSFHCUTN-UHFFFAOYSA-N
MW246.24 g/mol
LogP0.27
Rot. Bonds4

About methyl 2-(4-hydroxyphenyl)sulfonyloxyacetate

methyl 2-(4-hydroxyphenyl)sulfonyloxyacetate (PubChem CID 137357175) has the molecular formula C9H10O6S and a molecular weight of 246.24 g/mol. Its IUPAC name is methyl 2-(4-hydroxyphenyl)sulfonyloxyacetate.

Molecular Properties

Compound Namemethyl 2-(4-hydroxyphenyl)sulfonyloxyacetate
PubChem CID137357175
Molecular FormulaC9H10O6S
Molecular Weight246.24 g/mol
Exact Mass246.02
IUPAC Namemethyl 2-(4-hydroxyphenyl)sulfonyloxyacetate
SMILESCOC(=O)COS(=O)(=O)c1ccc(O)cc1
InChIInChI=1S/C9H10O6S/c1-14-9(11)6-15-16(12,13)8-4-2-7(10)3-5-8/h2-5,10H,6H2,1H3
InChIKeyVUOQKTHSFHCUTN-UHFFFAOYSA-N
XLogP0.27
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(4-hydroxyphenyl)sulfonylbutanoate
CID 170957892
tert-butyl 2-(4-methylphenyl)sulfonyloxyacetate
CID 11266149
trimethylsilyl 2-(4-methylphenyl)sulfonyloxyacetate
CID 88550534
(2,3,4,5,6-pentafluorophenyl) 2-(4-methylphenyl)sulfonyloxyacetate
CID 137375214
2-(4-hydroxyphenyl)ethyl 4-methylbenzenesulfonate
CID 11460554
ethyl 4-acetamidobenzenesulfonate
CID 91726392
(2-methoxy-2-oxoethyl) 2-(4-hydroxyphenyl)propanoate
CID 21326469
(3-chloro-2-oxopropyl) 4-methylbenzenesulfonate
CID 15642852
(2-methoxy-2-oxoethyl) 4-methylsulfonylbenzoate
CID 42404573
2-methylprop-2-enyl 4-methylbenzenesulfonate
CID 10955266
2,2,2-trifluoroethyl 4-(methoxycarbonylamino)benzenesulfonate
CID 3391907
methyl 2-[4-(dimethylsulfamoyl)phenoxy]acetate
CID 47215115

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-hydroxyphenyl)sulfonyloxyacetate?
The IUPAC name of methyl 2-(4-hydroxyphenyl)sulfonyloxyacetate (CID 137357175) is methyl 2-(4-hydroxyphenyl)sulfonyloxyacetate.
What is the SMILES notation for methyl 2-(4-hydroxyphenyl)sulfonyloxyacetate?
The canonical SMILES for methyl 2-(4-hydroxyphenyl)sulfonyloxyacetate is COC(=O)COS(=O)(=O)c1ccc(O)cc1.
What is the InChIKey of methyl 2-(4-hydroxyphenyl)sulfonyloxyacetate?
The InChIKey is VUOQKTHSFHCUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O6S/c1-14-9(11)6-15-16(12,13)8-4-2-7(10)3-5-8/h2-5,10H,6H2,1H3.
What are the key properties of methyl 2-(4-hydroxyphenyl)sulfonyloxyacetate?
methyl 2-(4-hydroxyphenyl)sulfonyloxyacetate has a molecular weight of 246.24 g/mol, XLogP of 0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-hydroxyphenyl)sulfonyloxyacetate is sourced from PubChem (CID 137357175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).