ethoxy-[(4-methylphenyl)sulfonyloxymethyl]phosphinic acid

C10H15O6PS — CID 10957350

IUPACethoxy-[(4-methylphenyl)sulfonyloxymethyl]phosphinic acid
SMILESCCOP(=O)(O)COS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C10H15O6PS/c1-3-15-17(11,12)8-16-18(13,14)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H,11,12)
InChIKeyQFIIAJPIMIDUML-UHFFFAOYSA-N
MW294.27 g/mol
LogP1.88
Rot. Bonds6

About ethoxy-[(4-methylphenyl)sulfonyloxymethyl]phosphinic acid

ethoxy-[(4-methylphenyl)sulfonyloxymethyl]phosphinic acid (PubChem CID 10957350) has the molecular formula C10H15O6PS and a molecular weight of 294.27 g/mol. Its IUPAC name is ethoxy-[(4-methylphenyl)sulfonyloxymethyl]phosphinic acid.

Molecular Properties

Compound Nameethoxy-[(4-methylphenyl)sulfonyloxymethyl]phosphinic acid
PubChem CID10957350
Molecular FormulaC10H15O6PS
Molecular Weight294.27 g/mol
Exact Mass294.03
IUPAC Nameethoxy-[(4-methylphenyl)sulfonyloxymethyl]phosphinic acid
SMILESCCOP(=O)(O)COS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C10H15O6PS/c1-3-15-17(11,12)8-16-18(13,14)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H,11,12)
InChIKeyQFIIAJPIMIDUML-UHFFFAOYSA-N
XLogP1.88
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

diethylphosphorylmethyl 4-methylbenzenesulfonate
CID 156816853
[diethoxymethyl(ethoxy)phosphoryl]methyl 4-methylbenzenesulfonate
CID 154191655
2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethyl 4-methylbenzenesulfonate
CID 138597163
[4-(diethoxyphosphorylmethoxy)-2-hydroxybutyl] 4-methylbenzenesulfonate
CID 166556148
ethyl 4-methylbenzenesulfonate;methyl 4-methylbenzenesulfonate
CID 159715992
aminomethyl-(4-methylphenyl)sulfonyloxyphosphinic acid
CID 90024990
adamantane;ethyl 4-methylbenzenesulfonate
CID 175411135
1-(1-diethoxyphosphorylethenylsulfonyl)-4-methylbenzene
CID 23421835
ethene;2-(4-methylphenyl)sulfonyloxyethyl 4-methylbenzenesulfonate
CID 173100984
ethoxy-[[ethoxy-(4-methylphenyl)phosphoryl]methyl]phosphinic acid
CID 59986294
2-methylprop-2-enyl 4-methylbenzenesulfonate
CID 10955266
[3,4-dimethylidene-6-(4-methylphenyl)sulfonyloxyhexyl] 4-methylbenzenesulfonate
CID 15321034

Frequently Asked Questions

What is the IUPAC name of ethoxy-[(4-methylphenyl)sulfonyloxymethyl]phosphinic acid?
The IUPAC name of ethoxy-[(4-methylphenyl)sulfonyloxymethyl]phosphinic acid (CID 10957350) is ethoxy-[(4-methylphenyl)sulfonyloxymethyl]phosphinic acid.
What is the SMILES notation for ethoxy-[(4-methylphenyl)sulfonyloxymethyl]phosphinic acid?
The canonical SMILES for ethoxy-[(4-methylphenyl)sulfonyloxymethyl]phosphinic acid is CCOP(=O)(O)COS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of ethoxy-[(4-methylphenyl)sulfonyloxymethyl]phosphinic acid?
The InChIKey is QFIIAJPIMIDUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O6PS/c1-3-15-17(11,12)8-16-18(13,14)10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3,(H,11,12).
What are the key properties of ethoxy-[(4-methylphenyl)sulfonyloxymethyl]phosphinic acid?
ethoxy-[(4-methylphenyl)sulfonyloxymethyl]phosphinic acid has a molecular weight of 294.27 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[(4-methylphenyl)sulfonyloxymethyl]phosphinic acid is sourced from PubChem (CID 10957350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).