[benzoyloxy(phenyl)methyl]-triphenylphosphanium chloride

C32H26ClO2P — CID 71415689

IUPAC[benzoyloxy(phenyl)methyl]-triphenylphosphanium chloride
SMILESO=C(OC(c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C32H26O2P.ClH/c33-31(26-16-6-1-7-17-26)34-32(27-18-8-2-9-19-27)35(28-20-10-3-11-21-28,29-22-12-4-13-23-29)30-24-14-5-15-25-30;/h1-25,32H;1H/q+1;/p-1
InChIKeyCACUESWUXNLDRF-UHFFFAOYSA-M
MW508.99 g/mol
LogP3.54
Rot. Bonds7

About [benzoyloxy(phenyl)methyl]-triphenylphosphanium chloride

[benzoyloxy(phenyl)methyl]-triphenylphosphanium chloride (PubChem CID 71415689) has the molecular formula C32H26ClO2P and a molecular weight of 508.99 g/mol. Its IUPAC name is [benzoyloxy(phenyl)methyl]-triphenylphosphanium chloride.

Molecular Properties

Compound Name[benzoyloxy(phenyl)methyl]-triphenylphosphanium chloride
PubChem CID71415689
Molecular FormulaC32H26ClO2P
Molecular Weight508.99 g/mol
Exact Mass508.14
IUPAC Name[benzoyloxy(phenyl)methyl]-triphenylphosphanium chloride
SMILESO=C(OC(c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.[Cl-]
InChIInChI=1S/C32H26O2P.ClH/c33-31(26-16-6-1-7-17-26)34-32(27-18-8-2-9-19-27)35(28-20-10-3-11-21-28,29-22-12-4-13-23-29)30-24-14-5-15-25-30;/h1-25,32H;1H/q+1;/p-1
InChIKeyCACUESWUXNLDRF-UHFFFAOYSA-M
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.99
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phenylethyl benzoate
CID 174857426
[hydroxy(phenyl)methyl] benzoate
CID 22715526
(3-benzoyloxy-2-methyl-1,3-diphenylpropyl) benzoate
CID 23126014
[(1S,2R)-2-amino-1-phenylpropyl] benzoate
CID 99718446
(2-methyl-3-oxo-1-phenylpropyl) benzoate
CID 122223711
(2-chloro-2-oxo-1-phenylethyl) benzoate
CID 10659973
(2-cyano-2-hydroxy-1-phenylethyl) benzoate
CID 135043818
[(1R,2S)-2-(methylamino)-1-phenylpropyl] benzoate
CID 162818343
4-[(1S)-1-phenylethoxy]carbonylbenzoic acid
CID 139796001
[(R)-cyano(phenyl)methyl] benzoate
CID 12617356
benzhydryl pyridine-4-carboxylate
CID 891439
[(1R)-2-methoxy-2-oxo-1-phenylethyl] benzoate
CID 11747638

Frequently Asked Questions

What is the IUPAC name of [benzoyloxy(phenyl)methyl]-triphenylphosphanium chloride?
The IUPAC name of [benzoyloxy(phenyl)methyl]-triphenylphosphanium chloride (CID 71415689) is [benzoyloxy(phenyl)methyl]-triphenylphosphanium chloride.
What is the SMILES notation for [benzoyloxy(phenyl)methyl]-triphenylphosphanium chloride?
The canonical SMILES for [benzoyloxy(phenyl)methyl]-triphenylphosphanium chloride is O=C(OC(c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.[Cl-].
What is the InChIKey of [benzoyloxy(phenyl)methyl]-triphenylphosphanium chloride?
The InChIKey is CACUESWUXNLDRF-UHFFFAOYSA-M. The full InChI is InChI=1S/C32H26O2P.ClH/c33-31(26-16-6-1-7-17-26)34-32(27-18-8-2-9-19-27)35(28-20-10-3-11-21-28,29-22-12-4-13-23-29)30-24-14-5-15-25-30;/h1-25,32H;1H/q+1;/p-1.
What are the key properties of [benzoyloxy(phenyl)methyl]-triphenylphosphanium chloride?
[benzoyloxy(phenyl)methyl]-triphenylphosphanium chloride has a molecular weight of 508.99 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [benzoyloxy(phenyl)methyl]-triphenylphosphanium chloride is sourced from PubChem (CID 71415689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).