ethoxy-[(4-methylsulfonylphenyl)methyl]phosphinic acid

C10H15O5PS — CID 23274689

IUPACethoxy-[(4-methylsulfonylphenyl)methyl]phosphinic acid
SMILESCCOP(=O)(O)Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C10H15O5PS/c1-3-15-16(11,12)8-9-4-6-10(7-5-9)17(2,13)14/h4-7H,3,8H2,1-2H3,(H,11,12)
InChIKeyDVRIUAVNCKTINE-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.81
Rot. Bonds5

About ethoxy-[(4-methylsulfonylphenyl)methyl]phosphinic acid

ethoxy-[(4-methylsulfonylphenyl)methyl]phosphinic acid (PubChem CID 23274689) has the molecular formula C10H15O5PS and a molecular weight of 278.27 g/mol. Its IUPAC name is ethoxy-[(4-methylsulfonylphenyl)methyl]phosphinic acid.

Molecular Properties

Compound Nameethoxy-[(4-methylsulfonylphenyl)methyl]phosphinic acid
PubChem CID23274689
Molecular FormulaC10H15O5PS
Molecular Weight278.27 g/mol
Exact Mass278.04
IUPAC Nameethoxy-[(4-methylsulfonylphenyl)methyl]phosphinic acid
SMILESCCOP(=O)(O)Cc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C10H15O5PS/c1-3-15-16(11,12)8-9-4-6-10(7-5-9)17(2,13)14/h4-7H,3,8H2,1-2H3,(H,11,12)
InChIKeyDVRIUAVNCKTINE-UHFFFAOYSA-N
XLogP1.81
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethoxy-[(4-methylsulfonylphenyl)methyl]phosphinic acid?
The IUPAC name of ethoxy-[(4-methylsulfonylphenyl)methyl]phosphinic acid (CID 23274689) is ethoxy-[(4-methylsulfonylphenyl)methyl]phosphinic acid.
What is the SMILES notation for ethoxy-[(4-methylsulfonylphenyl)methyl]phosphinic acid?
The canonical SMILES for ethoxy-[(4-methylsulfonylphenyl)methyl]phosphinic acid is CCOP(=O)(O)Cc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of ethoxy-[(4-methylsulfonylphenyl)methyl]phosphinic acid?
The InChIKey is DVRIUAVNCKTINE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O5PS/c1-3-15-16(11,12)8-9-4-6-10(7-5-9)17(2,13)14/h4-7H,3,8H2,1-2H3,(H,11,12).
What are the key properties of ethoxy-[(4-methylsulfonylphenyl)methyl]phosphinic acid?
ethoxy-[(4-methylsulfonylphenyl)methyl]phosphinic acid has a molecular weight of 278.27 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[(4-methylsulfonylphenyl)methyl]phosphinic acid is sourced from PubChem (CID 23274689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).