bis(1,2-diphenylethoxy)-oxophosphanium

C28H26O3P+ — CID 57192035

IUPACbis(1,2-diphenylethoxy)-oxophosphanium
SMILESO=[P+](OC(Cc1ccccc1)c1ccccc1)OC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C28H26O3P/c29-32(30-27(25-17-9-3-10-18-25)21-23-13-5-1-6-14-23)31-28(26-19-11-4-12-20-26)22-24-15-7-2-8-16-24/h1-20,27-28H,21-22H2/q+1
InChIKeyIIBXDPAZQXKAPG-UHFFFAOYSA-N
MW441.49 g/mol
LogP7.64
Rot. Bonds10

About bis(1,2-diphenylethoxy)-oxophosphanium

bis(1,2-diphenylethoxy)-oxophosphanium (PubChem CID 57192035) has the molecular formula C28H26O3P+ and a molecular weight of 441.49 g/mol. Its IUPAC name is bis(1,2-diphenylethoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(1,2-diphenylethoxy)-oxophosphanium
PubChem CID57192035
Molecular FormulaC28H26O3P+
Molecular Weight441.49 g/mol
Exact Mass441.16
IUPAC Namebis(1,2-diphenylethoxy)-oxophosphanium
SMILESO=[P+](OC(Cc1ccccc1)c1ccccc1)OC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C28H26O3P/c29-32(30-27(25-17-9-3-10-18-25)21-23-13-5-1-6-14-23)31-28(26-19-11-4-12-20-26)22-24-15-7-2-8-16-24/h1-20,27-28H,21-22H2/q+1
InChIKeyIIBXDPAZQXKAPG-UHFFFAOYSA-N
XLogP7.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.49
LogP ≤ 57.64
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

1,4-bis(1,2-diphenylethoxy)benzene
CID 67207918
1,2-diphenylethoxy-oxo-(2,4,6-trimethylbenzoyl)phosphanium
CID 68515093
bis(1,2-diphenylethyl) hydrogen phosphate
CID 175237263
dibenzhydryloxy(oxo)phosphanium
CID 57050024
1,2-diphenylethoxy hydrogen sulfate
CID 135012172
1,2-diphenylethoxy(hydroxymethyl)phosphinic acid
CID 87705885
1,2-diphenylethoxy(ethenyl)silane
CID 123377665
1,3-diphenylpropan-2-yloxy-hydroxy-oxophosphanium;hydrochloride
CID 70071894
N-(1,2-diphenylethoxy)-2-phenylethanamine;hydrochloride
CID 25094007
2-(1,2-diphenylethoxycarbonyl)-4-methylpentanoic acid
CID 70637765
1-methoxy-4-[2-[2-(4-methoxyphenyl)-1-phenylethoxy]-2-phenylethyl]benzene
CID 22357970
(1R)-1,2-diphenylethanol
CID 1379022

Frequently Asked Questions

What is the IUPAC name of bis(1,2-diphenylethoxy)-oxophosphanium?
The IUPAC name of bis(1,2-diphenylethoxy)-oxophosphanium (CID 57192035) is bis(1,2-diphenylethoxy)-oxophosphanium.
What is the SMILES notation for bis(1,2-diphenylethoxy)-oxophosphanium?
The canonical SMILES for bis(1,2-diphenylethoxy)-oxophosphanium is O=[P+](OC(Cc1ccccc1)c1ccccc1)OC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of bis(1,2-diphenylethoxy)-oxophosphanium?
The InChIKey is IIBXDPAZQXKAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O3P/c29-32(30-27(25-17-9-3-10-18-25)21-23-13-5-1-6-14-23)31-28(26-19-11-4-12-20-26)22-24-15-7-2-8-16-24/h1-20,27-28H,21-22H2/q+1.
What are the key properties of bis(1,2-diphenylethoxy)-oxophosphanium?
bis(1,2-diphenylethoxy)-oxophosphanium has a molecular weight of 441.49 g/mol, XLogP of 7.64, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2-diphenylethoxy)-oxophosphanium is sourced from PubChem (CID 57192035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).