triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium chloride

C28H28ClO3P — CID 10552678

IUPACtriphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium chloride
SMILESCOc1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc(OC)c1OC.[Cl-]
InChIInChI=1S/C28H28O3P.ClH/c1-29-26-19-22(20-27(30-2)28(26)31-3)21-32(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25;/h4-20H,21H2,1-3H3;1H/q+1;/p-1
InChIKeyUKSISPKRRVBOOL-UHFFFAOYSA-M
MW478.96 g/mol
LogP2.21
Rot. Bonds8

About triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium chloride

triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium chloride (PubChem CID 10552678) has the molecular formula C28H28ClO3P and a molecular weight of 478.96 g/mol. Its IUPAC name is triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium chloride.

Molecular Properties

Compound Nametriphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium chloride
PubChem CID10552678
Molecular FormulaC28H28ClO3P
Molecular Weight478.96 g/mol
Exact Mass478.15
IUPAC Nametriphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium chloride
SMILESCOc1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc(OC)c1OC.[Cl-]
InChIInChI=1S/C28H28O3P.ClH/c1-29-26-19-22(20-27(30-2)28(26)31-3)21-32(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25;/h4-20H,21H2,1-3H3;1H/q+1;/p-1
InChIKeyUKSISPKRRVBOOL-UHFFFAOYSA-M
XLogP2.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.96
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze triphenyl-[(3,4,5-trimethoxyphenyl)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-[(3,4,5-trimethoxyphenyl)methyl]phosphanium;hydrochloride
CID 126958760
(3,5-dimethoxy-4-methylphenyl)methyl-triphenylphosphanium
CID 161133355
[4-[8-[2,6-dimethoxy-4-(triphenylphosphaniumylmethyl)phenoxy]octoxy]-3,5-dimethoxyphenyl]methyl-triphenylphosphanium
CID 101025478
(4-fluoro-3-methoxyphenyl)methyl-triphenylphosphanium bromide
CID 86613401
triphenyl-[(2,4,5-trimethoxyphenyl)methyl]phosphanium;chloride;hydrate
CID 139062047
benzyl-diphenyl-(2,3,4-trimethoxyphenyl)phosphanium
CID 140705355
(7,8-dimethoxyphenanthren-2-yl)methyl-triphenylphosphanium bromide
CID 10674977
(7-methoxy-2,2-dimethyl-3H-1-benzofuran-5-yl)methyl-triphenylphosphanium bromide
CID 22343760
bis(benzyl(triphenyl)phosphanium) dichloride
CID 161237104
(2-methoxyphenyl)methyl-triphenylphosphanium;hydrobromide
CID 175467384
(4-methoxy-2,3-dimethylphenyl)methyl-triphenylphosphanium
CID 87697377
[3,4-bis(methoxymethoxy)phenyl]methyl-triphenylphosphanium
CID 22381105

Frequently Asked Questions

What is the IUPAC name of triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium chloride?
The IUPAC name of triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium chloride (CID 10552678) is triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium chloride.
What is the SMILES notation for triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium chloride?
The canonical SMILES for triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium chloride is COc1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc(OC)c1OC.[Cl-].
What is the InChIKey of triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium chloride?
The InChIKey is UKSISPKRRVBOOL-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H28O3P.ClH/c1-29-26-19-22(20-27(30-2)28(26)31-3)21-32(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25;/h4-20H,21H2,1-3H3;1H/q+1;/p-1.
What are the key properties of triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium chloride?
triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium chloride has a molecular weight of 478.96 g/mol, XLogP of 2.21, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium chloride is sourced from PubChem (CID 10552678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).