hydroxymethylphosphanium iodide

CH6IOP — CID 157433907

IUPAChydroxymethylphosphanium iodide
SMILESOC[PH3+].[I-]
InChIInChI=1S/CH5OP.HI/c2-1-3;/h2H,1,3H2;1H
InChIKeyBQWDPMUQNJWJHY-UHFFFAOYSA-N
MW191.94 g/mol
LogP-3.45
Rot. Bonds

About hydroxymethylphosphanium iodide

hydroxymethylphosphanium iodide (PubChem CID 157433907) has the molecular formula CH6IOP and a molecular weight of 191.94 g/mol. Its IUPAC name is hydroxymethylphosphanium iodide.

Molecular Properties

Compound Namehydroxymethylphosphanium iodide
PubChem CID157433907
Molecular FormulaCH6IOP
Molecular Weight191.94 g/mol
Exact Mass191.92
IUPAC Namehydroxymethylphosphanium iodide
SMILESOC[PH3+].[I-]
InChIInChI=1S/CH5OP.HI/c2-1-3;/h2H,1,3H2;1H
InChIKeyBQWDPMUQNJWJHY-UHFFFAOYSA-N
XLogP-3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.94
LogP ≤ 5-3.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

copper(1+);ethane-1,2-diol;iodide
CID 175285814
hydrazine;hydroxymethylphosphanium;chloride
CID 172822599
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CID 21124602
ethane-1,2-diol;tetrahydrochloride
CID 19917613
ethane-1,2-diol;silane
CID 159802659
ethane-1,2-diol;dihydrochloride
CID 88711440
ethane-1,2-diol;palladium(2+)
CID 175783555
Ethylene glycol monosodium salt
CID 86592871
ethane-1,2-diol;rhenium
CID 175749522
CID 87524640
CID 87524640
ethane-1,2-diol;trihydrochloride
CID 172793976
sodium;propan-1-ol;iodide
CID 174317067

Frequently Asked Questions

What is the IUPAC name of hydroxymethylphosphanium iodide?
The IUPAC name of hydroxymethylphosphanium iodide (CID 157433907) is hydroxymethylphosphanium iodide.
What is the SMILES notation for hydroxymethylphosphanium iodide?
The canonical SMILES for hydroxymethylphosphanium iodide is OC[PH3+].[I-].
What is the InChIKey of hydroxymethylphosphanium iodide?
The InChIKey is BQWDPMUQNJWJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5OP.HI/c2-1-3;/h2H,1,3H2;1H.
What are the key properties of hydroxymethylphosphanium iodide?
hydroxymethylphosphanium iodide has a molecular weight of 191.94 g/mol, XLogP of -3.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethylphosphanium iodide is sourced from PubChem (CID 157433907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).