[2-(furan-2-yl)-2-oxoethyl] methanesulfonate

C7H8O5S — CID 14292729

IUPAC[2-(furan-2-yl)-2-oxoethyl] methanesulfonate
SMILESCS(=O)(=O)OCC(=O)c1ccco1
InChIInChI=1S/C7H8O5S/c1-13(9,10)12-5-6(8)7-3-2-4-11-7/h2-4H,5H2,1H3
InChIKeyHPMPHJIWZXXXPI-UHFFFAOYSA-N
MW204.20 g/mol
LogP0.44
Rot. Bonds4

About [2-(furan-2-yl)-2-oxoethyl] methanesulfonate

[2-(furan-2-yl)-2-oxoethyl] methanesulfonate (PubChem CID 14292729) has the molecular formula C7H8O5S and a molecular weight of 204.20 g/mol. Its IUPAC name is [2-(furan-2-yl)-2-oxoethyl] methanesulfonate.

Molecular Properties

Compound Name[2-(furan-2-yl)-2-oxoethyl] methanesulfonate
PubChem CID14292729
Molecular FormulaC7H8O5S
Molecular Weight204.20 g/mol
Exact Mass204.01
IUPAC Name[2-(furan-2-yl)-2-oxoethyl] methanesulfonate
SMILESCS(=O)(=O)OCC(=O)c1ccco1
InChIInChI=1S/C7H8O5S/c1-13(9,10)12-5-6(8)7-3-2-4-11-7/h2-4H,5H2,1H3
InChIKeyHPMPHJIWZXXXPI-UHFFFAOYSA-N
XLogP0.44
TPSA73.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 50.44
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

1-(furan-2-yl)-2-(2-methylpropoxy)ethanone
CID 43798717
1-(furan-2-yl)-2-(4-methylphenoxy)ethanone
CID 43413085
1-(furan-2-yl)-2-(3-methylcyclohexyl)oxyethanone
CID 43800878
1-(furan-2-yl)-2-(furan-2-ylmethoxy)ethanone
CID 62029441
1-(furan-2-yl)-4-methylpentane-1,3-dione
CID 62875308
1-(furan-2-yl)-2-(2-methylsulfonylethylsulfanyl)ethanone
CID 63659050
ethane;1-(furan-2-yl)butane-1,3-dione
CID 145463409
1-(furan-2-yl)-2-(3-methylbutan-2-ylsulfonyl)ethanone
CID 107767579
1-(furan-2-yl)-2-[4-(hydroxymethyl)phenoxy]ethanone
CID 60623751
[2-(furan-2-yl)-2-oxoethyl] octadecanoate
CID 126696522
calcium;1-(furan-2-yl)butane-1,3-dione;hydride
CID 173386868
ethyl 3-(furan-2-yl)-3-oxopropanoate
CID 2759240

Frequently Asked Questions

What is the IUPAC name of [2-(furan-2-yl)-2-oxoethyl] methanesulfonate?
The IUPAC name of [2-(furan-2-yl)-2-oxoethyl] methanesulfonate (CID 14292729) is [2-(furan-2-yl)-2-oxoethyl] methanesulfonate.
What is the SMILES notation for [2-(furan-2-yl)-2-oxoethyl] methanesulfonate?
The canonical SMILES for [2-(furan-2-yl)-2-oxoethyl] methanesulfonate is CS(=O)(=O)OCC(=O)c1ccco1.
What is the InChIKey of [2-(furan-2-yl)-2-oxoethyl] methanesulfonate?
The InChIKey is HPMPHJIWZXXXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O5S/c1-13(9,10)12-5-6(8)7-3-2-4-11-7/h2-4H,5H2,1H3.
What are the key properties of [2-(furan-2-yl)-2-oxoethyl] methanesulfonate?
[2-(furan-2-yl)-2-oxoethyl] methanesulfonate has a molecular weight of 204.20 g/mol, XLogP of 0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(furan-2-yl)-2-oxoethyl] methanesulfonate is sourced from PubChem (CID 14292729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).