2-[(3-iodophenyl)methoxy]-1,3,2λ5,4-dioxadiphosphetan-4-ium 2,4-dioxide

C7H6IO5P2+ — CID 18547286

IUPAC2-[(3-iodophenyl)methoxy]-1,3,2λ5,4-dioxadiphosphetan-4-ium 2,4-dioxide
SMILESO=[P+]1OP(=O)(OCc2cccc(I)c2)O1
InChIInChI=1S/C7H6IO5P2/c8-7-3-1-2-6(4-7)5-11-15(10)12-14(9)13-15/h1-4H,5H2/q+1
InChIKeyINOWEPNESIIDHR-UHFFFAOYSA-N
MW358.97 g/mol
LogP3.62
Rot. Bonds3

About 2-[(3-iodophenyl)methoxy]-1,3,2λ5,4-dioxadiphosphetan-4-ium 2,4-dioxide

2-[(3-iodophenyl)methoxy]-1,3,2λ5,4-dioxadiphosphetan-4-ium 2,4-dioxide (PubChem CID 18547286) has the molecular formula C7H6IO5P2+ and a molecular weight of 358.97 g/mol. Its IUPAC name is 2-[(3-iodophenyl)methoxy]-1,3,2λ5,4-dioxadiphosphetan-4-ium 2,4-dioxide.

Molecular Properties

Compound Name2-[(3-iodophenyl)methoxy]-1,3,2λ5,4-dioxadiphosphetan-4-ium 2,4-dioxide
PubChem CID18547286
Molecular FormulaC7H6IO5P2+
Molecular Weight358.97 g/mol
Exact Mass358.87
IUPAC Name2-[(3-iodophenyl)methoxy]-1,3,2λ5,4-dioxadiphosphetan-4-ium 2,4-dioxide
SMILESO=[P+]1OP(=O)(OCc2cccc(I)c2)O1
InChIInChI=1S/C7H6IO5P2/c8-7-3-1-2-6(4-7)5-11-15(10)12-14(9)13-15/h1-4H,5H2/q+1
InChIKeyINOWEPNESIIDHR-UHFFFAOYSA-N
XLogP3.62
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.97
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[(3-iodophenyl)methoxy]-1,3,2λ5,4-dioxadiphosphetan-4-ium 2,4-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-iodophenyl)methyl hypoiodite
CID 167240125
O-[(3-iodophenyl)methyl]hydroxylamine
CID 25137641
(3-iodophenyl)methyl hydrogen sulfite
CID 174745935
1-(chloromethyl)-3-iodobenzene
CID 13059978
1-iodo-3-[10-[(3-iodophenyl)methoxy]decoxymethyl]benzene
CID 101169604
1-iodo-3-[[3-[(3-iodophenyl)methoxy]-2,2-bis[(3-iodophenyl)methoxymethyl]propoxy]methyl]benzene
CID 101115926
tert-butyl-[(3-iodophenyl)methoxy]-dimethylsilane
CID 66845200
1-iodo-3-(2-phenylethoxymethyl)benzene
CID 59371407
1-iodo-3-(2-methylpropyl)benzene
CID 18417600
1-iodo-3-[(sulfamoylamino)methyl]benzene
CID 20823765
2-(3-iodophenyl)ethanol
CID 15169850
(3-iodophenyl)methyl N-prop-2-ynylcarbamate
CID 19966578

Frequently Asked Questions

What is the IUPAC name of 2-[(3-iodophenyl)methoxy]-1,3,2λ5,4-dioxadiphosphetan-4-ium 2,4-dioxide?
The IUPAC name of 2-[(3-iodophenyl)methoxy]-1,3,2λ5,4-dioxadiphosphetan-4-ium 2,4-dioxide (CID 18547286) is 2-[(3-iodophenyl)methoxy]-1,3,2λ5,4-dioxadiphosphetan-4-ium 2,4-dioxide.
What is the SMILES notation for 2-[(3-iodophenyl)methoxy]-1,3,2λ5,4-dioxadiphosphetan-4-ium 2,4-dioxide?
The canonical SMILES for 2-[(3-iodophenyl)methoxy]-1,3,2λ5,4-dioxadiphosphetan-4-ium 2,4-dioxide is O=[P+]1OP(=O)(OCc2cccc(I)c2)O1.
What is the InChIKey of 2-[(3-iodophenyl)methoxy]-1,3,2λ5,4-dioxadiphosphetan-4-ium 2,4-dioxide?
The InChIKey is INOWEPNESIIDHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6IO5P2/c8-7-3-1-2-6(4-7)5-11-15(10)12-14(9)13-15/h1-4H,5H2/q+1.
What are the key properties of 2-[(3-iodophenyl)methoxy]-1,3,2λ5,4-dioxadiphosphetan-4-ium 2,4-dioxide?
2-[(3-iodophenyl)methoxy]-1,3,2λ5,4-dioxadiphosphetan-4-ium 2,4-dioxide has a molecular weight of 358.97 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-iodophenyl)methoxy]-1,3,2λ5,4-dioxadiphosphetan-4-ium 2,4-dioxide is sourced from PubChem (CID 18547286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).