triphenyl-[(2-phenylmethoxyphenyl)methyl]phosphanium chloride

C32H28ClOP — CID 19423967

IUPACtriphenyl-[(2-phenylmethoxyphenyl)methyl]phosphanium chloride
SMILES[Cl-].c1ccc(COc2ccccc2C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H28OP.ClH/c1-5-15-27(16-6-1)25-33-32-24-14-13-17-28(32)26-34(29-18-7-2-8-19-29,30-20-9-3-10-21-30)31-22-11-4-12-23-31;/h1-24H,25-26H2;1H/q+1;/p-1
InChIKeyZIXAFTWZYJHKNL-UHFFFAOYSA-M
MW495.00 g/mol
LogP3.76
Rot. Bonds8

About triphenyl-[(2-phenylmethoxyphenyl)methyl]phosphanium chloride

triphenyl-[(2-phenylmethoxyphenyl)methyl]phosphanium chloride (PubChem CID 19423967) has the molecular formula C32H28ClOP and a molecular weight of 495.00 g/mol. Its IUPAC name is triphenyl-[(2-phenylmethoxyphenyl)methyl]phosphanium chloride.

Molecular Properties

Compound Nametriphenyl-[(2-phenylmethoxyphenyl)methyl]phosphanium chloride
PubChem CID19423967
Molecular FormulaC32H28ClOP
Molecular Weight495.00 g/mol
Exact Mass494.16
IUPAC Nametriphenyl-[(2-phenylmethoxyphenyl)methyl]phosphanium chloride
SMILES[Cl-].c1ccc(COc2ccccc2C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H28OP.ClH/c1-5-15-27(16-6-1)25-33-32-24-14-13-17-28(32)26-34(29-18-7-2-8-19-29,30-20-9-3-10-21-30)31-22-11-4-12-23-31;/h1-24H,25-26H2;1H/q+1;/p-1
InChIKeyZIXAFTWZYJHKNL-UHFFFAOYSA-M
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.00
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze triphenyl-[(2-phenylmethoxyphenyl)methyl]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

triphenyl-[[2-(2-phenylethoxy)phenyl]methyl]phosphanium
CID 20764205
[2-(methoxymethoxy)phenyl]methyl-triphenylphosphanium chloride
CID 19423996
(5-methoxy-2-phenylmethoxyphenyl)methyl-triphenylphosphanium
CID 122368996
(2-methoxyphenyl)methyl-triphenylphosphanium;hydrobromide
CID 175467384
1-[1,3-bis(2-phenylmethoxyphenyl)propan-2-yl]-2-phenylmethoxybenzene
CID 123524365
[2-(cyclohexylmethoxy)phenyl]methyl-triphenylphosphanium chloride
CID 22678452
(2-phenacyloxyphenyl)methyl-triphenylphosphanium
CID 172741164
bis(benzyl(triphenyl)phosphanium) dichloride
CID 161237104
[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-fluorophenyl]methyl-triphenylphosphanium bromide
CID 162333834
arsane;benzyl(triphenyl)phosphanium;chloride
CID 174558543
benzyl(triphenyl)phosphanium;manganese(2+);dichloride
CID 175569574
1-(2,2-dimethylpropyl)-2-phenylmethoxybenzene
CID 59836559

Frequently Asked Questions

What is the IUPAC name of triphenyl-[(2-phenylmethoxyphenyl)methyl]phosphanium chloride?
The IUPAC name of triphenyl-[(2-phenylmethoxyphenyl)methyl]phosphanium chloride (CID 19423967) is triphenyl-[(2-phenylmethoxyphenyl)methyl]phosphanium chloride.
What is the SMILES notation for triphenyl-[(2-phenylmethoxyphenyl)methyl]phosphanium chloride?
The canonical SMILES for triphenyl-[(2-phenylmethoxyphenyl)methyl]phosphanium chloride is [Cl-].c1ccc(COc2ccccc2C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl-[(2-phenylmethoxyphenyl)methyl]phosphanium chloride?
The InChIKey is ZIXAFTWZYJHKNL-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H28OP.ClH/c1-5-15-27(16-6-1)25-33-32-24-14-13-17-28(32)26-34(29-18-7-2-8-19-29,30-20-9-3-10-21-30)31-22-11-4-12-23-31;/h1-24H,25-26H2;1H/q+1;/p-1.
What are the key properties of triphenyl-[(2-phenylmethoxyphenyl)methyl]phosphanium chloride?
triphenyl-[(2-phenylmethoxyphenyl)methyl]phosphanium chloride has a molecular weight of 495.00 g/mol, XLogP of 3.76, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[(2-phenylmethoxyphenyl)methyl]phosphanium chloride is sourced from PubChem (CID 19423967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).