dihydroxy(oxo)phosphanium;triphenyl-λ3-iodane

C18H17IO3P+ — CID 159902610

IUPACdihydroxy(oxo)phosphanium;triphenyl-λ3-iodane
SMILESO=[P+](O)O.c1ccc(I(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15I.HO3P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4(2)3/h1-15H;(H-,1,2,3)/p+1
InChIKeyHLUJDICKHLRRII-UHFFFAOYSA-O
MW439.21 g/mol
LogP4.73
Rot. Bonds3

About dihydroxy(oxo)phosphanium;triphenyl-λ3-iodane

dihydroxy(oxo)phosphanium;triphenyl-λ3-iodane (PubChem CID 159902610) has the molecular formula C18H17IO3P+ and a molecular weight of 439.21 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;triphenyl-λ3-iodane.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;triphenyl-λ3-iodane
PubChem CID159902610
Molecular FormulaC18H17IO3P+
Molecular Weight439.21 g/mol
Exact Mass439.00
IUPAC Namedihydroxy(oxo)phosphanium;triphenyl-λ3-iodane
SMILESO=[P+](O)O.c1ccc(I(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15I.HO3P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4(2)3/h1-15H;(H-,1,2,3)/p+1
InChIKeyHLUJDICKHLRRII-UHFFFAOYSA-O
XLogP4.73
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.21
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze dihydroxy(oxo)phosphanium;triphenyl-λ3-iodane 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

dihydroxy(oxo)phosphanium;phthalic acid
CID 161362066
dihydroxy(oxo)phosphanium;N-phenylaniline
CID 174642571
dihydroxy(oxo)phosphanium;tris(1,2-xylene)
CID 175961535
hydroxy-(2-hydroxy-1,3-diphenylpropan-2-yl)-oxophosphanium
CID 68615340
dihydroxy(oxo)phosphanium;bis(1,4-xylene)
CID 174402873
dihydroxy(oxo)phosphanium;7-thiabicyclo[4.1.0]hepta-1,3,5-triene
CID 175079585
hydroxy-oxo-phenylphosphanium;hydrochloride
CID 172693291
hydroxy-oxo-phenylphosphanium;zinc
CID 66795245
phosphenous acid;toluene;hydrate
CID 174646588
dimagnesium;hydroxy-oxo-phenylphosphanium;tetrachloride
CID 172736603
bis(1,1'-biphenyl);phosphenous acid
CID 18188455
dihydroxy(oxo)phosphanium;oxo-bis(phenylmethoxy)phosphanium
CID 159366011

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;triphenyl-λ3-iodane?
The IUPAC name of dihydroxy(oxo)phosphanium;triphenyl-λ3-iodane (CID 159902610) is dihydroxy(oxo)phosphanium;triphenyl-λ3-iodane.
What is the SMILES notation for dihydroxy(oxo)phosphanium;triphenyl-λ3-iodane?
The canonical SMILES for dihydroxy(oxo)phosphanium;triphenyl-λ3-iodane is O=[P+](O)O.c1ccc(I(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of dihydroxy(oxo)phosphanium;triphenyl-λ3-iodane?
The InChIKey is HLUJDICKHLRRII-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H15I.HO3P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-4(2)3/h1-15H;(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;triphenyl-λ3-iodane?
dihydroxy(oxo)phosphanium;triphenyl-λ3-iodane has a molecular weight of 439.21 g/mol, XLogP of 4.73, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;triphenyl-λ3-iodane is sourced from PubChem (CID 159902610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).