3-hydroxypropyl(triphenyl)phosphanium iodide

C21H22IOP — CID 11442250

IUPAC3-hydroxypropyl(triphenyl)phosphanium iodide
SMILESOCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C21H22OP.HI/c22-17-10-18-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;/h1-9,11-16,22H,10,17-18H2;1H/q+1;/p-1
InChIKeyHTPPTFDKMMKCIQ-UHFFFAOYSA-M
MW448.28 g/mol
LogP0.37
Rot. Bonds6

About 3-hydroxypropyl(triphenyl)phosphanium iodide

3-hydroxypropyl(triphenyl)phosphanium iodide (PubChem CID 11442250) has the molecular formula C21H22IOP and a molecular weight of 448.28 g/mol. Its IUPAC name is 3-hydroxypropyl(triphenyl)phosphanium iodide.

Molecular Properties

Compound Name3-hydroxypropyl(triphenyl)phosphanium iodide
PubChem CID11442250
Molecular FormulaC21H22IOP
Molecular Weight448.28 g/mol
Exact Mass448.05
IUPAC Name3-hydroxypropyl(triphenyl)phosphanium iodide
SMILESOCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
InChIInChI=1S/C21H22OP.HI/c22-17-10-18-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;/h1-9,11-16,22H,10,17-18H2;1H/q+1;/p-1
InChIKeyHTPPTFDKMMKCIQ-UHFFFAOYSA-M
XLogP0.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.28
LogP ≤ 50.37
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

Ethyltriphenylphosphonium iodide
CID 78474
(Methoxymethyl)triphenylphosphonium chloride
CID 2723799
3-(Triphenylphosphoranyl)propanoic acid
CID 61357
(3-Buten-1-YL)triphenylphosphonium bromide
CID 500022
(2-Hydroxyethyl)triphenylphosphonium chloride
CID 520034
Isopropyltriphenylphosphonium iodide
CID 2723783
(Hydroxymethyl)triphenylphosphonium chloride
CID 3083895
2-Diphenylphosphorylethanol
CID 426866
Triphenyl(prop-2-enyl)phosphanium
CID 197741
Phosphonium, butyltriphenyl-, iodide (1:1)
CID 168078
Phosphonium, allyltriphenyl-, iodide
CID 198000
(2-Methoxy-ethyl)-triphenyl-phosphonium, bromide
CID 22377376

Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropyl(triphenyl)phosphanium iodide?
The IUPAC name of 3-hydroxypropyl(triphenyl)phosphanium iodide (CID 11442250) is 3-hydroxypropyl(triphenyl)phosphanium iodide.
What is the SMILES notation for 3-hydroxypropyl(triphenyl)phosphanium iodide?
The canonical SMILES for 3-hydroxypropyl(triphenyl)phosphanium iodide is OCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-].
What is the InChIKey of 3-hydroxypropyl(triphenyl)phosphanium iodide?
The InChIKey is HTPPTFDKMMKCIQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H22OP.HI/c22-17-10-18-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)21-15-8-3-9-16-21;/h1-9,11-16,22H,10,17-18H2;1H/q+1;/p-1.
What are the key properties of 3-hydroxypropyl(triphenyl)phosphanium iodide?
3-hydroxypropyl(triphenyl)phosphanium iodide has a molecular weight of 448.28 g/mol, XLogP of 0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropyl(triphenyl)phosphanium iodide is sourced from PubChem (CID 11442250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).