[4-(4-hydroxyphenyl)phenyl]methyl-triphenylphosphanium

C31H26OP+ — CID 132542561

IUPAC[4-(4-hydroxyphenyl)phenyl]methyl-triphenylphosphanium
SMILESOc1ccc(-c2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C31H25OP/c32-28-22-20-27(21-23-28)26-18-16-25(17-19-26)24-33(29-10-4-1-5-11-29,30-12-6-2-7-13-30)31-14-8-3-9-15-31/h1-23H,24H2/p+1
InChIKeyWWGPXEYDKSXGPS-UHFFFAOYSA-O
MW445.52 g/mol
LogP6.55
Rot. Bonds6

About [4-(4-hydroxyphenyl)phenyl]methyl-triphenylphosphanium

[4-(4-hydroxyphenyl)phenyl]methyl-triphenylphosphanium (PubChem CID 132542561) has the molecular formula C31H26OP+ and a molecular weight of 445.52 g/mol. Its IUPAC name is [4-(4-hydroxyphenyl)phenyl]methyl-triphenylphosphanium.

Molecular Properties

Compound Name[4-(4-hydroxyphenyl)phenyl]methyl-triphenylphosphanium
PubChem CID132542561
Molecular FormulaC31H26OP+
Molecular Weight445.52 g/mol
Exact Mass445.17
IUPAC Name[4-(4-hydroxyphenyl)phenyl]methyl-triphenylphosphanium
SMILESOc1ccc(-c2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C31H25OP/c32-28-22-20-27(21-23-28)26-18-16-25(17-19-26)24-33(29-10-4-1-5-11-29,30-12-6-2-7-13-30)31-14-8-3-9-15-31/h1-23H,24H2/p+1
InChIKeyWWGPXEYDKSXGPS-UHFFFAOYSA-O
XLogP6.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.52
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(benzyl(triphenyl)phosphanium) dichloride
CID 161237104
benzyl(triphenyl)phosphanium;phosphane;iodide
CID 174958037
arsane;benzyl(triphenyl)phosphanium;chloride
CID 174558543
[4-[(E)-1,2-diphenyl-2-[4-(triphenylphosphaniumylmethyl)phenyl]ethenyl]phenyl]methyl-triphenylphosphanium
CID 90305713
2-[diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphaniumyl]ethyl-diphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium
CID 91315511
N-hydroxy-4-(triphenylphosphaniumylmethyl)benzeneamine oxide
CID 21126561
[4-(4-nonylphenyl)phenyl]methyl-triphenylphosphanium bromide
CID 19863171
benzyl(triphenyl)phosphanium;triphenylphosphane
CID 90751570
benzyl(triphenyl)phosphanium phenoxide
CID 18469640
(4-chlorophenyl)methyl-triphenylphosphanium perchlorate
CID 71389118
benzyl-[4-(2-hydroxypropyl)phenyl]-diphenylphosphanium bromide
CID 18000285
(4-methylphenyl)-[[4-[4-[[(4-methylphenyl)-diphenylphosphaniumyl]methyl]benzoyl]phenyl]methyl]-diphenylphosphanium dibromide
CID 45104023

Frequently Asked Questions

What is the IUPAC name of [4-(4-hydroxyphenyl)phenyl]methyl-triphenylphosphanium?
The IUPAC name of [4-(4-hydroxyphenyl)phenyl]methyl-triphenylphosphanium (CID 132542561) is [4-(4-hydroxyphenyl)phenyl]methyl-triphenylphosphanium.
What is the SMILES notation for [4-(4-hydroxyphenyl)phenyl]methyl-triphenylphosphanium?
The canonical SMILES for [4-(4-hydroxyphenyl)phenyl]methyl-triphenylphosphanium is Oc1ccc(-c2ccc(C[P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of [4-(4-hydroxyphenyl)phenyl]methyl-triphenylphosphanium?
The InChIKey is WWGPXEYDKSXGPS-UHFFFAOYSA-O. The full InChI is InChI=1S/C31H25OP/c32-28-22-20-27(21-23-28)26-18-16-25(17-19-26)24-33(29-10-4-1-5-11-29,30-12-6-2-7-13-30)31-14-8-3-9-15-31/h1-23H,24H2/p+1.
What are the key properties of [4-(4-hydroxyphenyl)phenyl]methyl-triphenylphosphanium?
[4-(4-hydroxyphenyl)phenyl]methyl-triphenylphosphanium has a molecular weight of 445.52 g/mol, XLogP of 6.55, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-hydroxyphenyl)phenyl]methyl-triphenylphosphanium is sourced from PubChem (CID 132542561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).