formic acid;4-methylsulfonylphenol

C8H10O5S — CID 175318493

IUPACformic acid;4-methylsulfonylphenol
SMILESCS(=O)(=O)c1ccc(O)cc1.O=CO
InChIInChI=1S/C7H8O3S.CH2O2/c1-11(9,10)7-4-2-6(8)3-5-7;2-1-3/h2-5,8H,1H3;1H,(H,2,3)
InChIKeyDEZGLJGKYKDGAG-UHFFFAOYSA-N
MW218.23 g/mol
LogP0.50
Rot. Bonds1

About formic acid;4-methylsulfonylphenol

formic acid;4-methylsulfonylphenol (PubChem CID 175318493) has the molecular formula C8H10O5S and a molecular weight of 218.23 g/mol. Its IUPAC name is formic acid;4-methylsulfonylphenol.

Molecular Properties

Compound Nameformic acid;4-methylsulfonylphenol
PubChem CID175318493
Molecular FormulaC8H10O5S
Molecular Weight218.23 g/mol
Exact Mass218.02
IUPAC Nameformic acid;4-methylsulfonylphenol
SMILESCS(=O)(=O)c1ccc(O)cc1.O=CO
InChIInChI=1S/C7H8O3S.CH2O2/c1-11(9,10)7-4-2-6(8)3-5-7;2-1-3/h2-5,8H,1H3;1H,(H,2,3)
InChIKeyDEZGLJGKYKDGAG-UHFFFAOYSA-N
XLogP0.50
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dipotassium;4-methylsulfonylphenol;carbonate
CID 139243111
methane;methylsulfonylbenzene;4-methylsulfonylphenol
CID 161395670
4-[1,1,1,3,3,3-hexafluoro-2-(4-methylsulfonylphenyl)propan-2-yl]phenol
CID 21200860
CID 70636806
CID 70636806
ethane;formic acid;4-methylphenol
CID 143673297
2,2,2-tris(4-methylsulfonylphenyl)acetaldehyde
CID 150870530
6-(4-methylsulfonylphenyl)naphthalen-2-ol;hydrobromide
CID 175820078
bis[(4-hydroxyphenyl)-dimethyl-λ4-sulfanyl] sulfate
CID 140547892
chloro-(4-methylsulfonylphenyl)methanol
CID 172793429
CID 131880553
CID 131880553
bis(4-hydroxybenzenesulfonic acid);zinc
CID 87093741
lithium;sodium;bis(4-hydroxybenzenesulfonate)
CID 173430636

Frequently Asked Questions

What is the IUPAC name of formic acid;4-methylsulfonylphenol?
The IUPAC name of formic acid;4-methylsulfonylphenol (CID 175318493) is formic acid;4-methylsulfonylphenol.
What is the SMILES notation for formic acid;4-methylsulfonylphenol?
The canonical SMILES for formic acid;4-methylsulfonylphenol is CS(=O)(=O)c1ccc(O)cc1.O=CO.
What is the InChIKey of formic acid;4-methylsulfonylphenol?
The InChIKey is DEZGLJGKYKDGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O3S.CH2O2/c1-11(9,10)7-4-2-6(8)3-5-7;2-1-3/h2-5,8H,1H3;1H,(H,2,3).
What are the key properties of formic acid;4-methylsulfonylphenol?
formic acid;4-methylsulfonylphenol has a molecular weight of 218.23 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;4-methylsulfonylphenol is sourced from PubChem (CID 175318493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).