dimethyl (3-methyl-4-methylsulfinylphenyl) phosphate

C10H15O5PS — CID 23047

IUPACdimethyl (3-methyl-4-methylsulfinylphenyl) phosphate
SMILESCOP(=O)(OC)Oc1ccc(S(C)=O)c(C)c1
InChIInChI=1S/C10H15O5PS/c1-8-7-9(5-6-10(8)17(4)12)15-16(11,13-2)14-3/h5-7H,1-4H3
InChIKeyGTZCKTIZOGTWQO-UHFFFAOYSA-N
MW278.27 g/mol
LogP2.51
Rot. Bonds5

About dimethyl (3-methyl-4-methylsulfinylphenyl) phosphate

dimethyl (3-methyl-4-methylsulfinylphenyl) phosphate (PubChem CID 23047) has the molecular formula C10H15O5PS and a molecular weight of 278.27 g/mol. Its IUPAC name is dimethyl (3-methyl-4-methylsulfinylphenyl) phosphate.

Molecular Properties

Compound Namedimethyl (3-methyl-4-methylsulfinylphenyl) phosphate
PubChem CID23047
Molecular FormulaC10H15O5PS
Molecular Weight278.27 g/mol
Exact Mass278.04
IUPAC Namedimethyl (3-methyl-4-methylsulfinylphenyl) phosphate
SMILESCOP(=O)(OC)Oc1ccc(S(C)=O)c(C)c1
InChIInChI=1S/C10H15O5PS/c1-8-7-9(5-6-10(8)17(4)12)15-16(11,13-2)14-3/h5-7H,1-4H3
InChIKeyGTZCKTIZOGTWQO-UHFFFAOYSA-N
XLogP2.51
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl (3-methyl-4-methylsulfinylphenyl) phosphate?
The IUPAC name of dimethyl (3-methyl-4-methylsulfinylphenyl) phosphate (CID 23047) is dimethyl (3-methyl-4-methylsulfinylphenyl) phosphate.
What is the SMILES notation for dimethyl (3-methyl-4-methylsulfinylphenyl) phosphate?
The canonical SMILES for dimethyl (3-methyl-4-methylsulfinylphenyl) phosphate is COP(=O)(OC)Oc1ccc(S(C)=O)c(C)c1.
What is the InChIKey of dimethyl (3-methyl-4-methylsulfinylphenyl) phosphate?
The InChIKey is GTZCKTIZOGTWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O5PS/c1-8-7-9(5-6-10(8)17(4)12)15-16(11,13-2)14-3/h5-7H,1-4H3.
What are the key properties of dimethyl (3-methyl-4-methylsulfinylphenyl) phosphate?
dimethyl (3-methyl-4-methylsulfinylphenyl) phosphate has a molecular weight of 278.27 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (3-methyl-4-methylsulfinylphenyl) phosphate is sourced from PubChem (CID 23047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).