hydroxymethyl(triphenyl)phosphanium chloride

C19H18ClOP — CID 3083895

IUPAChydroxymethyl(triphenyl)phosphanium chloride
SMILESOC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C19H18OP.ClH/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
InChIKeyVTXFLDLWTNQCAL-UHFFFAOYSA-M
MW328.78 g/mol
LogP-0.07
Rot. Bonds4

About hydroxymethyl(triphenyl)phosphanium chloride

hydroxymethyl(triphenyl)phosphanium chloride (PubChem CID 3083895) has the molecular formula C19H18ClOP and a molecular weight of 328.78 g/mol. Its IUPAC name is hydroxymethyl(triphenyl)phosphanium chloride.

Molecular Properties

Compound Namehydroxymethyl(triphenyl)phosphanium chloride
PubChem CID3083895
Molecular FormulaC19H18ClOP
Molecular Weight328.78 g/mol
Exact Mass328.08
IUPAC Namehydroxymethyl(triphenyl)phosphanium chloride
SMILESOC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C19H18OP.ClH/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
InChIKeyVTXFLDLWTNQCAL-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 ≤ 500328.78
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 chloride 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

Triphenylphosphine
CID 11776
Triphenyltin hydroxide
CID 9907219
Triphenylphosphine Oxide
CID 13097
Methyltriphenyliphosphonium bromide
CID 74505
Triphenyltin oxide
CID 6327657
Allyltriphenylphosphonium bromide
CID 197740
Phosphine sulfide, triphenyl-
CID 19758
Tetraphenylphosphonium Chloride
CID 164911
(Methoxymethyl)triphenylphosphonium chloride
CID 2723799
Triphenylmethylphosphonium Bromide
CID 621706
(Chloromethyl)triphenylphosphonium chloride
CID 197823
Methoxymethyl-triphenylphosphonium chloride
CID 2723798

Frequently Asked Questions

What is the IUPAC name of hydroxymethyl(triphenyl)phosphanium chloride?
The IUPAC name of hydroxymethyl(triphenyl)phosphanium chloride (CID 3083895) is hydroxymethyl(triphenyl)phosphanium chloride.
What is the SMILES notation for hydroxymethyl(triphenyl)phosphanium chloride?
The canonical SMILES for hydroxymethyl(triphenyl)phosphanium chloride is OC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of hydroxymethyl(triphenyl)phosphanium chloride?
The InChIKey is VTXFLDLWTNQCAL-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H18OP.ClH/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 chloride?
hydroxymethyl(triphenyl)phosphanium chloride has a molecular weight of 328.78 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 chloride is sourced from PubChem (CID 3083895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).