2,2-dimethylpropyl-tris(4-methoxyphenyl)phosphanium

C26H32O3P+ — CID 23419504

IUPAC2,2-dimethylpropyl-tris(4-methoxyphenyl)phosphanium
SMILESCOc1ccc([P+](CC(C)(C)C)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H32O3P/c1-26(2,3)19-30(23-13-7-20(27-4)8-14-23,24-15-9-21(28-5)10-16-24)25-17-11-22(29-6)12-18-25/h7-18H,19H2,1-6H3/q+1
InChIKeyMXYDHFKWEFSUIA-UHFFFAOYSA-N
MW423.51 g/mol
LogP5.05
Rot. Bonds7

About 2,2-dimethylpropyl-tris(4-methoxyphenyl)phosphanium

2,2-dimethylpropyl-tris(4-methoxyphenyl)phosphanium (PubChem CID 23419504) has the molecular formula C26H32O3P+ and a molecular weight of 423.51 g/mol. Its IUPAC name is 2,2-dimethylpropyl-tris(4-methoxyphenyl)phosphanium.

Molecular Properties

Compound Name2,2-dimethylpropyl-tris(4-methoxyphenyl)phosphanium
PubChem CID23419504
Molecular FormulaC26H32O3P+
Molecular Weight423.51 g/mol
Exact Mass423.21
IUPAC Name2,2-dimethylpropyl-tris(4-methoxyphenyl)phosphanium
SMILESCOc1ccc([P+](CC(C)(C)C)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C26H32O3P/c1-26(2,3)19-30(23-13-7-20(27-4)8-14-23,24-15-9-21(28-5)10-16-24)25-17-11-22(29-6)12-18-25/h7-18H,19H2,1-6H3/q+1
InChIKeyMXYDHFKWEFSUIA-UHFFFAOYSA-N
XLogP5.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.51
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2-dimethylpropyl-tris(4-methoxyphenyl)phosphanium 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

1-methoxy-4-(2,2,5,5-tetramethylhexan-3-yl)benzene
CID 67966968
1-(1-chloro-3,3-dimethylbutyl)-4-methoxybenzene
CID 63429185
1-(4-methoxyphenyl)-N,N,3,3-tetramethylbutan-1-amine
CID 58442303
[4-(bromomethyl)phenyl]methyl-tris(4-methoxyphenyl)phosphanium bromide
CID 23631361
tert-butyl-[3-(4-methoxyphenoxy)propyl]azanium
CID 2249420
1-methoxy-4-(2-methylbut-3-yn-2-yloxy)benzene
CID 11830222
1-(1-bromo-2-methylpropan-2-yl)oxy-4-methoxybenzene
CID 82089720
2-(4-methoxyphenyl)-6,6-dimethylheptan-2-ol
CID 114209720
3-methoxy-1-(4-methoxyphenyl)-3-methylbutan-1-ol
CID 103027413
(2R)-4-(4-methoxyphenyl)-4-methylpentan-2-amine
CID 42077610
N-[(1S)-1-(4-methoxyphenyl)ethyl]-4,4-dimethylpentan-1-amine
CID 114209430
(4-ethylphenyl)-bis(4-methoxyphenyl)-methylphosphanium
CID 123234194

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl-tris(4-methoxyphenyl)phosphanium?
The IUPAC name of 2,2-dimethylpropyl-tris(4-methoxyphenyl)phosphanium (CID 23419504) is 2,2-dimethylpropyl-tris(4-methoxyphenyl)phosphanium.
What is the SMILES notation for 2,2-dimethylpropyl-tris(4-methoxyphenyl)phosphanium?
The canonical SMILES for 2,2-dimethylpropyl-tris(4-methoxyphenyl)phosphanium is COc1ccc([P+](CC(C)(C)C)(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2,2-dimethylpropyl-tris(4-methoxyphenyl)phosphanium?
The InChIKey is MXYDHFKWEFSUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32O3P/c1-26(2,3)19-30(23-13-7-20(27-4)8-14-23,24-15-9-21(28-5)10-16-24)25-17-11-22(29-6)12-18-25/h7-18H,19H2,1-6H3/q+1.
What are the key properties of 2,2-dimethylpropyl-tris(4-methoxyphenyl)phosphanium?
2,2-dimethylpropyl-tris(4-methoxyphenyl)phosphanium has a molecular weight of 423.51 g/mol, XLogP of 5.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl-tris(4-methoxyphenyl)phosphanium is sourced from PubChem (CID 23419504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).