bis(2-benzylphenoxy)-oxophosphanium

C26H22O3P+ — CID 67546168

IUPACbis(2-benzylphenoxy)-oxophosphanium
SMILESO=[P+](Oc1ccccc1Cc1ccccc1)Oc1ccccc1Cc1ccccc1
InChIInChI=1S/C26H22O3P/c27-30(28-25-17-9-7-15-23(25)19-21-11-3-1-4-12-21)29-26-18-10-8-16-24(26)20-22-13-5-2-6-14-22/h1-18H,19-20H2/q+1
InChIKeyMRMVSHZDOLNCIY-UHFFFAOYSA-N
MW413.43 g/mol
LogP6.98
Rot. Bonds8

About bis(2-benzylphenoxy)-oxophosphanium

bis(2-benzylphenoxy)-oxophosphanium (PubChem CID 67546168) has the molecular formula C26H22O3P+ and a molecular weight of 413.43 g/mol. Its IUPAC name is bis(2-benzylphenoxy)-oxophosphanium.

Molecular Properties

Compound Namebis(2-benzylphenoxy)-oxophosphanium
PubChem CID67546168
Molecular FormulaC26H22O3P+
Molecular Weight413.43 g/mol
Exact Mass413.13
IUPAC Namebis(2-benzylphenoxy)-oxophosphanium
SMILESO=[P+](Oc1ccccc1Cc1ccccc1)Oc1ccccc1Cc1ccccc1
InChIInChI=1S/C26H22O3P/c27-30(28-25-17-9-7-15-23(25)19-21-11-3-1-4-12-21)29-26-18-10-8-16-24(26)20-22-13-5-2-6-14-22/h1-18H,19-20H2/q+1
InChIKeyMRMVSHZDOLNCIY-UHFFFAOYSA-N
XLogP6.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.43
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-benzylphenoxy)-oxophosphanium?
The IUPAC name of bis(2-benzylphenoxy)-oxophosphanium (CID 67546168) is bis(2-benzylphenoxy)-oxophosphanium.
What is the SMILES notation for bis(2-benzylphenoxy)-oxophosphanium?
The canonical SMILES for bis(2-benzylphenoxy)-oxophosphanium is O=[P+](Oc1ccccc1Cc1ccccc1)Oc1ccccc1Cc1ccccc1.
What is the InChIKey of bis(2-benzylphenoxy)-oxophosphanium?
The InChIKey is MRMVSHZDOLNCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O3P/c27-30(28-25-17-9-7-15-23(25)19-21-11-3-1-4-12-21)29-26-18-10-8-16-24(26)20-22-13-5-2-6-14-22/h1-18H,19-20H2/q+1.
What are the key properties of bis(2-benzylphenoxy)-oxophosphanium?
bis(2-benzylphenoxy)-oxophosphanium has a molecular weight of 413.43 g/mol, XLogP of 6.98, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-benzylphenoxy)-oxophosphanium is sourced from PubChem (CID 67546168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).