benzyl-tris(hydroxymethyl)phosphanium chloride

C10H16ClO3P — CID 71363020

IUPACbenzyl-tris(hydroxymethyl)phosphanium chloride
SMILESOC[P+](CO)(CO)Cc1ccccc1.[Cl-]
InChIInChI=1S/C10H16O3P.ClH/c11-7-14(8-12,9-13)6-10-4-2-1-3-5-10;/h1-5,11-13H,6-9H2;1H/q+1;/p-1
InChIKeyFGTLTLMXUFHMOG-UHFFFAOYSA-M
MW250.66 g/mol
LogP-1.94
Rot. Bonds5

About benzyl-tris(hydroxymethyl)phosphanium chloride

benzyl-tris(hydroxymethyl)phosphanium chloride (PubChem CID 71363020) has the molecular formula C10H16ClO3P and a molecular weight of 250.66 g/mol. Its IUPAC name is benzyl-tris(hydroxymethyl)phosphanium chloride.

Molecular Properties

Compound Namebenzyl-tris(hydroxymethyl)phosphanium chloride
PubChem CID71363020
Molecular FormulaC10H16ClO3P
Molecular Weight250.66 g/mol
Exact Mass250.05
IUPAC Namebenzyl-tris(hydroxymethyl)phosphanium chloride
SMILESOC[P+](CO)(CO)Cc1ccccc1.[Cl-]
InChIInChI=1S/C10H16O3P.ClH/c11-7-14(8-12,9-13)6-10-4-2-1-3-5-10;/h1-5,11-13H,6-9H2;1H/q+1;/p-1
InChIKeyFGTLTLMXUFHMOG-UHFFFAOYSA-M
XLogP-1.94
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.66
LogP ≤ 5-1.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze benzyl-tris(hydroxymethyl)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

Frequently Asked Questions

What is the IUPAC name of benzyl-tris(hydroxymethyl)phosphanium chloride?
The IUPAC name of benzyl-tris(hydroxymethyl)phosphanium chloride (CID 71363020) is benzyl-tris(hydroxymethyl)phosphanium chloride.
What is the SMILES notation for benzyl-tris(hydroxymethyl)phosphanium chloride?
The canonical SMILES for benzyl-tris(hydroxymethyl)phosphanium chloride is OC[P+](CO)(CO)Cc1ccccc1.[Cl-].
What is the InChIKey of benzyl-tris(hydroxymethyl)phosphanium chloride?
The InChIKey is FGTLTLMXUFHMOG-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H16O3P.ClH/c11-7-14(8-12,9-13)6-10-4-2-1-3-5-10;/h1-5,11-13H,6-9H2;1H/q+1;/p-1.
What are the key properties of benzyl-tris(hydroxymethyl)phosphanium chloride?
benzyl-tris(hydroxymethyl)phosphanium chloride has a molecular weight of 250.66 g/mol, XLogP of -1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-tris(hydroxymethyl)phosphanium chloride is sourced from PubChem (CID 71363020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).