(2-iodosyl-3,5-dimethylphenyl) dihydrogen phosphate

C8H10IO5P — CID 23356945

IUPAC(2-iodosyl-3,5-dimethylphenyl) dihydrogen phosphate
SMILESCc1cc(C)c(I=O)c(OP(=O)(O)O)c1
InChIInChI=1S/C8H10IO5P/c1-5-3-6(2)8(9-10)7(4-5)14-15(11,12)13/h3-4H,1-2H3,(H2,11,12,13)
InChIKeyVPLGBVSHVIWQEC-UHFFFAOYSA-N
MW344.04 g/mol
LogP2.26
Rot. Bonds3

About (2-iodosyl-3,5-dimethylphenyl) dihydrogen phosphate

(2-iodosyl-3,5-dimethylphenyl) dihydrogen phosphate (PubChem CID 23356945) has the molecular formula C8H10IO5P and a molecular weight of 344.04 g/mol. Its IUPAC name is (2-iodosyl-3,5-dimethylphenyl) dihydrogen phosphate.

Molecular Properties

Compound Name(2-iodosyl-3,5-dimethylphenyl) dihydrogen phosphate
PubChem CID23356945
Molecular FormulaC8H10IO5P
Molecular Weight344.04 g/mol
Exact Mass343.93
IUPAC Name(2-iodosyl-3,5-dimethylphenyl) dihydrogen phosphate
SMILESCc1cc(C)c(I=O)c(OP(=O)(O)O)c1
InChIInChI=1S/C8H10IO5P/c1-5-3-6(2)8(9-10)7(4-5)14-15(11,12)13/h3-4H,1-2H3,(H2,11,12,13)
InChIKeyVPLGBVSHVIWQEC-UHFFFAOYSA-N
XLogP2.26
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.04
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-iodosyl-3,5-dimethylphenyl) dihydrogen phosphate?
The IUPAC name of (2-iodosyl-3,5-dimethylphenyl) dihydrogen phosphate (CID 23356945) is (2-iodosyl-3,5-dimethylphenyl) dihydrogen phosphate.
What is the SMILES notation for (2-iodosyl-3,5-dimethylphenyl) dihydrogen phosphate?
The canonical SMILES for (2-iodosyl-3,5-dimethylphenyl) dihydrogen phosphate is Cc1cc(C)c(I=O)c(OP(=O)(O)O)c1.
What is the InChIKey of (2-iodosyl-3,5-dimethylphenyl) dihydrogen phosphate?
The InChIKey is VPLGBVSHVIWQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10IO5P/c1-5-3-6(2)8(9-10)7(4-5)14-15(11,12)13/h3-4H,1-2H3,(H2,11,12,13).
What are the key properties of (2-iodosyl-3,5-dimethylphenyl) dihydrogen phosphate?
(2-iodosyl-3,5-dimethylphenyl) dihydrogen phosphate has a molecular weight of 344.04 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodosyl-3,5-dimethylphenyl) dihydrogen phosphate is sourced from PubChem (CID 23356945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).