benzyl-diphenyl-(2,3,4-trimethoxyphenyl)phosphanium

C28H28O3P+ — CID 140705355

IUPACbenzyl-diphenyl-(2,3,4-trimethoxyphenyl)phosphanium
SMILESCOc1ccc([P+](Cc2ccccc2)(c2ccccc2)c2ccccc2)c(OC)c1OC
InChIInChI=1S/C28H28O3P/c1-29-25-19-20-26(28(31-3)27(25)30-2)32(23-15-9-5-10-16-23,24-17-11-6-12-18-24)21-22-13-7-4-8-14-22/h4-20H,21H2,1-3H3/q+1
InChIKeyGJQYRWIOPDGJTK-UHFFFAOYSA-N
MW443.50 g/mol
LogP5.21
Rot. Bonds8

About benzyl-diphenyl-(2,3,4-trimethoxyphenyl)phosphanium

benzyl-diphenyl-(2,3,4-trimethoxyphenyl)phosphanium (PubChem CID 140705355) has the molecular formula C28H28O3P+ and a molecular weight of 443.50 g/mol. Its IUPAC name is benzyl-diphenyl-(2,3,4-trimethoxyphenyl)phosphanium.

Molecular Properties

Compound Namebenzyl-diphenyl-(2,3,4-trimethoxyphenyl)phosphanium
PubChem CID140705355
Molecular FormulaC28H28O3P+
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Namebenzyl-diphenyl-(2,3,4-trimethoxyphenyl)phosphanium
SMILESCOc1ccc([P+](Cc2ccccc2)(c2ccccc2)c2ccccc2)c(OC)c1OC
InChIInChI=1S/C28H28O3P/c1-29-25-19-20-26(28(31-3)27(25)30-2)32(23-15-9-5-10-16-23,24-17-11-6-12-18-24)21-22-13-7-4-8-14-22/h4-20H,21H2,1-3H3/q+1
InChIKeyGJQYRWIOPDGJTK-UHFFFAOYSA-N
XLogP5.21
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzyl-(2-methoxyphenyl)-diphenylphosphanium hexafluorophosphate
CID 174642384
triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium chloride
CID 10552678
triphenyl-[(3,4,5-trimethoxyphenyl)methyl]phosphanium;hydrochloride
CID 126958760
(7,8-dimethoxyphenanthren-2-yl)methyl-triphenylphosphanium bromide
CID 10674977
bis(benzyl(triphenyl)phosphanium) dichloride
CID 161237104
(3,5-dimethoxy-4-methylphenyl)methyl-triphenylphosphanium
CID 161133355
(4-methoxy-2,3-dimethylphenyl)methyl-triphenylphosphanium
CID 87697377
benzyl(triphenyl)phosphanium;phosphane;iodide
CID 174958037
arsane;benzyl(triphenyl)phosphanium;chloride
CID 174558543
benzyl(triphenyl)phosphanium;manganese(2+);dichloride
CID 175569574
[4-[8-[2,6-dimethoxy-4-(triphenylphosphaniumylmethyl)phenoxy]octoxy]-3,5-dimethoxyphenyl]methyl-triphenylphosphanium
CID 101025478
benzyl-(2-hydroxy-4-methoxycarbonylphenyl)-diphenylphosphanium
CID 22376767

Frequently Asked Questions

What is the IUPAC name of benzyl-diphenyl-(2,3,4-trimethoxyphenyl)phosphanium?
The IUPAC name of benzyl-diphenyl-(2,3,4-trimethoxyphenyl)phosphanium (CID 140705355) is benzyl-diphenyl-(2,3,4-trimethoxyphenyl)phosphanium.
What is the SMILES notation for benzyl-diphenyl-(2,3,4-trimethoxyphenyl)phosphanium?
The canonical SMILES for benzyl-diphenyl-(2,3,4-trimethoxyphenyl)phosphanium is COc1ccc([P+](Cc2ccccc2)(c2ccccc2)c2ccccc2)c(OC)c1OC.
What is the InChIKey of benzyl-diphenyl-(2,3,4-trimethoxyphenyl)phosphanium?
The InChIKey is GJQYRWIOPDGJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28O3P/c1-29-25-19-20-26(28(31-3)27(25)30-2)32(23-15-9-5-10-16-23,24-17-11-6-12-18-24)21-22-13-7-4-8-14-22/h4-20H,21H2,1-3H3/q+1.
What are the key properties of benzyl-diphenyl-(2,3,4-trimethoxyphenyl)phosphanium?
benzyl-diphenyl-(2,3,4-trimethoxyphenyl)phosphanium has a molecular weight of 443.50 g/mol, XLogP of 5.21, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-diphenyl-(2,3,4-trimethoxyphenyl)phosphanium is sourced from PubChem (CID 140705355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).