bis(hydroxymethyl)-methyl-phenylphosphanium

C9H14O2P+ — CID 3061532

IUPACbis(hydroxymethyl)-methyl-phenylphosphanium
SMILESC[P+](CO)(CO)c1ccccc1
InChIInChI=1S/C9H14O2P/c1-12(7-10,8-11)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3/q+1
InChIKeyQQEZKKIUALMAJV-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.86
Rot. Bonds3

About bis(hydroxymethyl)-methyl-phenylphosphanium

bis(hydroxymethyl)-methyl-phenylphosphanium (PubChem CID 3061532) has the molecular formula C9H14O2P+ and a molecular weight of 185.18 g/mol. Its IUPAC name is bis(hydroxymethyl)-methyl-phenylphosphanium.

Molecular Properties

Compound Namebis(hydroxymethyl)-methyl-phenylphosphanium
PubChem CID3061532
Molecular FormulaC9H14O2P+
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Namebis(hydroxymethyl)-methyl-phenylphosphanium
SMILESC[P+](CO)(CO)c1ccccc1
InChIInChI=1S/C9H14O2P/c1-12(7-10,8-11)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3/q+1
InChIKeyQQEZKKIUALMAJV-UHFFFAOYSA-N
XLogP0.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl-phenyl-dipropylphosphanium
CID 70584071
bis(hydroxymethyl)-diphenylphosphanium chloride
CID 2784100
hydroxymethyl(triphenyl)phosphanium bromide
CID 18970177
[1-(dimethylamino)-2-hydroxyethyl]-triphenylphosphanium
CID 87069841
[(2R)-2-hydroxypropyl]-triphenylphosphanium
CID 14895269
ethyl-methyl-phenyl-propylphosphanium
CID 2785204
2-methylpropan-1-ol;phenol
CID 158335156
hydroxy-phenyl-di(propan-2-yl)phosphanium
CID 67469476
1-bromopropyl(triphenyl)phosphanium
CID 22011137
[(2S)-butan-2-yl]-triphenylphosphanium
CID 98044399
ethane;(2S)-2-phenylpropan-1-ol
CID 142206535
ethane;(2R)-2-phenylpropan-1-ol
CID 160644449

Frequently Asked Questions

What is the IUPAC name of bis(hydroxymethyl)-methyl-phenylphosphanium?
The IUPAC name of bis(hydroxymethyl)-methyl-phenylphosphanium (CID 3061532) is bis(hydroxymethyl)-methyl-phenylphosphanium.
What is the SMILES notation for bis(hydroxymethyl)-methyl-phenylphosphanium?
The canonical SMILES for bis(hydroxymethyl)-methyl-phenylphosphanium is C[P+](CO)(CO)c1ccccc1.
What is the InChIKey of bis(hydroxymethyl)-methyl-phenylphosphanium?
The InChIKey is QQEZKKIUALMAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2P/c1-12(7-10,8-11)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3/q+1.
What are the key properties of bis(hydroxymethyl)-methyl-phenylphosphanium?
bis(hydroxymethyl)-methyl-phenylphosphanium has a molecular weight of 185.18 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(hydroxymethyl)-methyl-phenylphosphanium is sourced from PubChem (CID 3061532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).