2-hydroxypropyl(triphenyl)phosphanium bromide

C21H22BrOP — CID 10739795

IUPAC2-hydroxypropyl(triphenyl)phosphanium bromide
SMILESCC(O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C21H22OP.BrH/c1-18(22)17-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;/h2-16,18,22H,17H2,1H3;1H/q+1;/p-1
InChIKeyHFXNDQCITGJJIY-UHFFFAOYSA-M
MW401.28 g/mol
LogP0.37
Rot. Bonds5

About 2-hydroxypropyl(triphenyl)phosphanium bromide

2-hydroxypropyl(triphenyl)phosphanium bromide (PubChem CID 10739795) has the molecular formula C21H22BrOP and a molecular weight of 401.28 g/mol. Its IUPAC name is 2-hydroxypropyl(triphenyl)phosphanium bromide.

Molecular Properties

Compound Name2-hydroxypropyl(triphenyl)phosphanium bromide
PubChem CID10739795
Molecular FormulaC21H22BrOP
Molecular Weight401.28 g/mol
Exact Mass400.06
IUPAC Name2-hydroxypropyl(triphenyl)phosphanium bromide
SMILESCC(O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C21H22OP.BrH/c1-18(22)17-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;/h2-16,18,22H,17H2,1H3;1H/q+1;/p-1
InChIKeyHFXNDQCITGJJIY-UHFFFAOYSA-M
XLogP0.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.28
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropyl(triphenyl)phosphanium bromide?
The IUPAC name of 2-hydroxypropyl(triphenyl)phosphanium bromide (CID 10739795) is 2-hydroxypropyl(triphenyl)phosphanium bromide.
What is the SMILES notation for 2-hydroxypropyl(triphenyl)phosphanium bromide?
The canonical SMILES for 2-hydroxypropyl(triphenyl)phosphanium bromide is CC(O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of 2-hydroxypropyl(triphenyl)phosphanium bromide?
The InChIKey is HFXNDQCITGJJIY-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H22OP.BrH/c1-18(22)17-23(19-11-5-2-6-12-19,20-13-7-3-8-14-20)21-15-9-4-10-16-21;/h2-16,18,22H,17H2,1H3;1H/q+1;/p-1.
What are the key properties of 2-hydroxypropyl(triphenyl)phosphanium bromide?
2-hydroxypropyl(triphenyl)phosphanium bromide has a molecular weight of 401.28 g/mol, XLogP of 0.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropyl(triphenyl)phosphanium bromide is sourced from PubChem (CID 10739795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).