hydroxymethyl(triphenyl)phosphanium bromide

C19H18BrOP — CID 18970177

IUPAChydroxymethyl(triphenyl)phosphanium bromide
SMILESOC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C19H18OP.BrH/c20-16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15,20H,16H2;1H/q+1;/p-1
InChIKeyFMYLCZZHEWTRCF-UHFFFAOYSA-M
MW373.23 g/mol
LogP-0.07
Rot. Bonds4

About hydroxymethyl(triphenyl)phosphanium bromide

hydroxymethyl(triphenyl)phosphanium bromide (PubChem CID 18970177) has the molecular formula C19H18BrOP and a molecular weight of 373.23 g/mol. Its IUPAC name is hydroxymethyl(triphenyl)phosphanium bromide.

Molecular Properties

Compound Namehydroxymethyl(triphenyl)phosphanium bromide
PubChem CID18970177
Molecular FormulaC19H18BrOP
Molecular Weight373.23 g/mol
Exact Mass372.03
IUPAC Namehydroxymethyl(triphenyl)phosphanium bromide
SMILESOC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C19H18OP.BrH/c20-16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15,20H,16H2;1H/q+1;/p-1
InChIKeyFMYLCZZHEWTRCF-UHFFFAOYSA-M
XLogP-0.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.23
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze hydroxymethyl(triphenyl)phosphanium bromide 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

chloroplatinum;hydroxymethyl(triphenyl)phosphanium
CID 174615744
2-hydroxyethyl(triphenyl)phosphanium bromide
CID 2733550
triphenyl(2-triphenylphosphaniumylethyl)phosphanium dibromide
CID 2785215
bis(hydroxymethyl)-diphenylphosphanium chloride
CID 2784100
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
azane;6-hydroxyhexyl(triphenyl)phosphanium;bromide
CID 172743171
[(2R)-2-hydroxypropyl]-triphenylphosphanium
CID 14895269
palladium;triphenyl(2-triphenylphosphaniumylethyl)phosphanium
CID 87290696
2-hydroxyprop-2-enyl(triphenyl)phosphanium
CID 87987805
bis(hydroxymethyl)-methyl-phenylphosphanium
CID 3061532
[(E)-4-hydroxybut-2-enyl]-triphenylphosphanium
CID 10894920
aminomethyl(triphenyl)phosphanium
CID 155040126

Frequently Asked Questions

What is the IUPAC name of hydroxymethyl(triphenyl)phosphanium bromide?
The IUPAC name of hydroxymethyl(triphenyl)phosphanium bromide (CID 18970177) is hydroxymethyl(triphenyl)phosphanium bromide.
What is the SMILES notation for hydroxymethyl(triphenyl)phosphanium bromide?
The canonical SMILES for hydroxymethyl(triphenyl)phosphanium bromide is OC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of hydroxymethyl(triphenyl)phosphanium bromide?
The InChIKey is FMYLCZZHEWTRCF-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H18OP.BrH/c20-16-21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;/h1-15,20H,16H2;1H/q+1;/p-1.
What are the key properties of hydroxymethyl(triphenyl)phosphanium bromide?
hydroxymethyl(triphenyl)phosphanium bromide has a molecular weight of 373.23 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxymethyl(triphenyl)phosphanium bromide is sourced from PubChem (CID 18970177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).