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

C28H29ClO3P+ — CID 126958760

IUPACtriphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium;hydrochloride
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;
InChIKeyUKSISPKRRVBOOL-UHFFFAOYSA-N
MW479.96 g/mol
LogP5.63
Rot. Bonds8

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

triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium;hydrochloride (PubChem CID 126958760) has the molecular formula C28H29ClO3P+ and a molecular weight of 479.96 g/mol. Its IUPAC name is triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium;hydrochloride.

Molecular Properties

Compound Nametriphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium;hydrochloride
PubChem CID126958760
Molecular FormulaC28H29ClO3P+
Molecular Weight479.96 g/mol
Exact Mass479.15
IUPAC Nametriphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium;hydrochloride
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;
InChIKeyUKSISPKRRVBOOL-UHFFFAOYSA-N
XLogP5.63
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.96
LogP ≤ 55.63
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;hydrochloride 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 chloride
CID 10552678
(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
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
(2-methoxyphenyl)methyl-triphenylphosphanium;hydrobromide
CID 175467384
(4-methoxy-2,3-dimethylphenyl)methyl-triphenylphosphanium
CID 87697377
triphenyl-[(2,4,5-trimethoxyphenyl)methyl]phosphanium;chloride;hydrate
CID 139062047
[3,4-bis(methoxymethoxy)phenyl]methyl-triphenylphosphanium
CID 22381105
1-[methyl(1-phenylpropan-2-yl)amino]-2-(3,4,5-trimethoxyphenyl)ethanol
CID 123599375

Frequently Asked Questions

What is the IUPAC name of triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium;hydrochloride?
The IUPAC name of triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium;hydrochloride (CID 126958760) is triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium;hydrochloride.
What is the SMILES notation for triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium;hydrochloride?
The canonical SMILES for triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium;hydrochloride is COc1cc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc(OC)c1OC.Cl.
What is the InChIKey of triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium;hydrochloride?
The InChIKey is UKSISPKRRVBOOL-UHFFFAOYSA-N. 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;.
What are the key properties of triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium;hydrochloride?
triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium;hydrochloride has a molecular weight of 479.96 g/mol, XLogP of 5.63, 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;hydrochloride is sourced from PubChem (CID 126958760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).