bis[(2-methyl-1-oxo-1-phenylmethoxypropan-2-yl)oxy]-oxophosphanium

C22H26O7P+ — CID 67072530

IUPACbis[(2-methyl-1-oxo-1-phenylmethoxypropan-2-yl)oxy]-oxophosphanium
SMILESCC(C)(O[P+](=O)OC(C)(C)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C22H26O7P/c1-21(2,19(23)26-15-17-11-7-5-8-12-17)28-30(25)29-22(3,4)20(24)27-16-18-13-9-6-10-14-18/h5-14H,15-16H2,1-4H3/q+1
InChIKeyOTRFPLQIPRRQAI-UHFFFAOYSA-N
MW433.42 g/mol
LogP4.72
Rot. Bonds10

About bis[(2-methyl-1-oxo-1-phenylmethoxypropan-2-yl)oxy]-oxophosphanium

bis[(2-methyl-1-oxo-1-phenylmethoxypropan-2-yl)oxy]-oxophosphanium (PubChem CID 67072530) has the molecular formula C22H26O7P+ and a molecular weight of 433.42 g/mol. Its IUPAC name is bis[(2-methyl-1-oxo-1-phenylmethoxypropan-2-yl)oxy]-oxophosphanium.

Molecular Properties

Compound Namebis[(2-methyl-1-oxo-1-phenylmethoxypropan-2-yl)oxy]-oxophosphanium
PubChem CID67072530
Molecular FormulaC22H26O7P+
Molecular Weight433.42 g/mol
Exact Mass433.14
IUPAC Namebis[(2-methyl-1-oxo-1-phenylmethoxypropan-2-yl)oxy]-oxophosphanium
SMILESCC(C)(O[P+](=O)OC(C)(C)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1
InChIInChI=1S/C22H26O7P/c1-21(2,19(23)26-15-17-11-7-5-8-12-17)28-30(25)29-22(3,4)20(24)27-16-18-13-9-6-10-14-18/h5-14H,15-16H2,1-4H3/q+1
InChIKeyOTRFPLQIPRRQAI-UHFFFAOYSA-N
XLogP4.72
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-methyl-1-oxo-1-phenylmethoxypropan-2-yl)oxy]-oxophosphanium?
The IUPAC name of bis[(2-methyl-1-oxo-1-phenylmethoxypropan-2-yl)oxy]-oxophosphanium (CID 67072530) is bis[(2-methyl-1-oxo-1-phenylmethoxypropan-2-yl)oxy]-oxophosphanium.
What is the SMILES notation for bis[(2-methyl-1-oxo-1-phenylmethoxypropan-2-yl)oxy]-oxophosphanium?
The canonical SMILES for bis[(2-methyl-1-oxo-1-phenylmethoxypropan-2-yl)oxy]-oxophosphanium is CC(C)(O[P+](=O)OC(C)(C)C(=O)OCc1ccccc1)C(=O)OCc1ccccc1.
What is the InChIKey of bis[(2-methyl-1-oxo-1-phenylmethoxypropan-2-yl)oxy]-oxophosphanium?
The InChIKey is OTRFPLQIPRRQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26O7P/c1-21(2,19(23)26-15-17-11-7-5-8-12-17)28-30(25)29-22(3,4)20(24)27-16-18-13-9-6-10-14-18/h5-14H,15-16H2,1-4H3/q+1.
What are the key properties of bis[(2-methyl-1-oxo-1-phenylmethoxypropan-2-yl)oxy]-oxophosphanium?
bis[(2-methyl-1-oxo-1-phenylmethoxypropan-2-yl)oxy]-oxophosphanium has a molecular weight of 433.42 g/mol, XLogP of 4.72, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis[(2-methyl-1-oxo-1-phenylmethoxypropan-2-yl)oxy]-oxophosphanium is sourced from PubChem (CID 67072530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).