[benzyl(hydroxy)phosphoryl]oxy-triphenylphosphanium

C25H23O3P2+ — CID 10002906

IUPAC[benzyl(hydroxy)phosphoryl]oxy-triphenylphosphanium
SMILESO=P(O)(Cc1ccccc1)O[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H22O3P2/c26-29(27,21-22-13-5-1-6-14-22)28-30(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2/p+1
InChIKeyMNVXYVBVQQVXRM-UHFFFAOYSA-O
MW433.40 g/mol
LogP5.30
Rot. Bonds7

About [benzyl(hydroxy)phosphoryl]oxy-triphenylphosphanium

[benzyl(hydroxy)phosphoryl]oxy-triphenylphosphanium (PubChem CID 10002906) has the molecular formula C25H23O3P2+ and a molecular weight of 433.40 g/mol. Its IUPAC name is [benzyl(hydroxy)phosphoryl]oxy-triphenylphosphanium.

Molecular Properties

Compound Name[benzyl(hydroxy)phosphoryl]oxy-triphenylphosphanium
PubChem CID10002906
Molecular FormulaC25H23O3P2+
Molecular Weight433.40 g/mol
Exact Mass433.11
IUPAC Name[benzyl(hydroxy)phosphoryl]oxy-triphenylphosphanium
SMILESO=P(O)(Cc1ccccc1)O[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H22O3P2/c26-29(27,21-22-13-5-1-6-14-22)28-30(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2/p+1
InChIKeyMNVXYVBVQQVXRM-UHFFFAOYSA-O
XLogP5.30
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.40
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzyl(phenoxy)phosphinic acid
CID 54071062
benzyl(octoxy)phosphinic acid
CID 57273466
CID 23340127
CID 23340127
benzylbenzene;phosphoric acid
CID 161249494
(4-chlorophenyl)methyl-phenoxyphosphinic acid
CID 22932200
phenylmethoxymethylbenzene;phosphoric acid
CID 141118417
2-(2-phenylethylamino)ethyl triphenylphosphaniumyl phosphate
CID 88524769
1,2-diphenylethoxy(hydroxymethyl)phosphinic acid
CID 87705885
benzyl-(4-butoxybenzoyl)oxyphosphinic acid
CID 139959869
2-dibenzylphosphorylacetate
CID 6989384
2-phenylethylbenzene;phosphono dihydrogen phosphate
CID 174463104
[benzyl(methoxy)phosphoryl]methanol
CID 54224349

Frequently Asked Questions

What is the IUPAC name of [benzyl(hydroxy)phosphoryl]oxy-triphenylphosphanium?
The IUPAC name of [benzyl(hydroxy)phosphoryl]oxy-triphenylphosphanium (CID 10002906) is [benzyl(hydroxy)phosphoryl]oxy-triphenylphosphanium.
What is the SMILES notation for [benzyl(hydroxy)phosphoryl]oxy-triphenylphosphanium?
The canonical SMILES for [benzyl(hydroxy)phosphoryl]oxy-triphenylphosphanium is O=P(O)(Cc1ccccc1)O[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [benzyl(hydroxy)phosphoryl]oxy-triphenylphosphanium?
The InChIKey is MNVXYVBVQQVXRM-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H22O3P2/c26-29(27,21-22-13-5-1-6-14-22)28-30(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2/p+1.
What are the key properties of [benzyl(hydroxy)phosphoryl]oxy-triphenylphosphanium?
[benzyl(hydroxy)phosphoryl]oxy-triphenylphosphanium has a molecular weight of 433.40 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [benzyl(hydroxy)phosphoryl]oxy-triphenylphosphanium is sourced from PubChem (CID 10002906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).