(2,3-diiodophenyl) dihydrogen phosphate

C6H5I2O4P — CID 154366629

IUPAC(2,3-diiodophenyl) dihydrogen phosphate
SMILESO=P(O)(O)Oc1cccc(I)c1I
InChIInChI=1S/C6H5I2O4P/c7-4-2-1-3-5(6(4)8)12-13(9,10)11/h1-3H,(H2,9,10,11)
InChIKeyFUCQNKDBSHXXOT-UHFFFAOYSA-N
MW425.88 g/mol
LogP2.37
Rot. Bonds2

About (2,3-diiodophenyl) dihydrogen phosphate

(2,3-diiodophenyl) dihydrogen phosphate (PubChem CID 154366629) has the molecular formula C6H5I2O4P and a molecular weight of 425.88 g/mol. Its IUPAC name is (2,3-diiodophenyl) dihydrogen phosphate.

Molecular Properties

Compound Name(2,3-diiodophenyl) dihydrogen phosphate
PubChem CID154366629
Molecular FormulaC6H5I2O4P
Molecular Weight425.88 g/mol
Exact Mass425.80
IUPAC Name(2,3-diiodophenyl) dihydrogen phosphate
SMILESO=P(O)(O)Oc1cccc(I)c1I
InChIInChI=1S/C6H5I2O4P/c7-4-2-1-3-5(6(4)8)12-13(9,10)11/h1-3H,(H2,9,10,11)
InChIKeyFUCQNKDBSHXXOT-UHFFFAOYSA-N
XLogP2.37
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.88
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2,3-bis(phenylperoxy)phenyl] dihydrogen phosphate
CID 175372696
(3-fluoro-2-methylphenyl) dihydrogen phosphate
CID 122607374
(3-bromo-2-chlorophenyl) dihydrogen phosphate
CID 54375223
(2-chlorophenyl) dihydrogen phosphate dichloride
CID 20976937
(2-chloro-3-phenylperoxyphenyl) dihydrogen phosphate
CID 172721380
lithium;(2-aminophenyl) dihydrogen phosphate;hydride
CID 175194411
(2-phenylphenyl) dihydrogen phosphate
CID 19371408
1,2,3-triiodobenzene
CID 139071365
[2-(difluoromethyl)phenyl] dihydrogen phosphate
CID 69493795
2-phosphonooxybenzenediazonium
CID 101390583
(7-hydroxynaphthalen-1-yl) dihydrogen phosphate
CID 153322561
8-phosphonooxynaphthalene-1-carboxylic acid
CID 171384485

Frequently Asked Questions

What is the IUPAC name of (2,3-diiodophenyl) dihydrogen phosphate?
The IUPAC name of (2,3-diiodophenyl) dihydrogen phosphate (CID 154366629) is (2,3-diiodophenyl) dihydrogen phosphate.
What is the SMILES notation for (2,3-diiodophenyl) dihydrogen phosphate?
The canonical SMILES for (2,3-diiodophenyl) dihydrogen phosphate is O=P(O)(O)Oc1cccc(I)c1I.
What is the InChIKey of (2,3-diiodophenyl) dihydrogen phosphate?
The InChIKey is FUCQNKDBSHXXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5I2O4P/c7-4-2-1-3-5(6(4)8)12-13(9,10)11/h1-3H,(H2,9,10,11).
What are the key properties of (2,3-diiodophenyl) dihydrogen phosphate?
(2,3-diiodophenyl) dihydrogen phosphate has a molecular weight of 425.88 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diiodophenyl) dihydrogen phosphate is sourced from PubChem (CID 154366629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).