oxo-bis(phenylmethoxymethoxy)phosphanium

C16H18O5P+ — CID 68931387

IUPACoxo-bis(phenylmethoxymethoxy)phosphanium
SMILESO=[P+](OCOCc1ccccc1)OCOCc1ccccc1
InChIInChI=1S/C16H18O5P/c17-22(20-13-18-11-15-7-3-1-4-8-15)21-14-19-12-16-9-5-2-6-10-16/h1-10H,11-14H2/q+1
InChIKeyOEFNGYIBNGRPCO-UHFFFAOYSA-N
MW321.29 g/mol
LogP4.03
Rot. Bonds10

About oxo-bis(phenylmethoxymethoxy)phosphanium

oxo-bis(phenylmethoxymethoxy)phosphanium (PubChem CID 68931387) has the molecular formula C16H18O5P+ and a molecular weight of 321.29 g/mol. Its IUPAC name is oxo-bis(phenylmethoxymethoxy)phosphanium.

Molecular Properties

Compound Nameoxo-bis(phenylmethoxymethoxy)phosphanium
PubChem CID68931387
Molecular FormulaC16H18O5P+
Molecular Weight321.29 g/mol
Exact Mass321.09
IUPAC Nameoxo-bis(phenylmethoxymethoxy)phosphanium
SMILESO=[P+](OCOCc1ccccc1)OCOCc1ccccc1
InChIInChI=1S/C16H18O5P/c17-22(20-13-18-11-15-7-3-1-4-8-15)21-14-19-12-16-9-5-2-6-10-16/h1-10H,11-14H2/q+1
InChIKeyOEFNGYIBNGRPCO-UHFFFAOYSA-N
XLogP4.03
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

dihydroxy(oxo)phosphanium;oxo-bis(phenylmethoxy)phosphanium
CID 159366011
oxo-(2-phenylethoxy)-phenylmethoxyphosphanium
CID 70073621
CID 66734377
CID 66734377
chloro-oxo-phenylmethoxyphosphanium
CID 23320599
methyl-oxo-phenylmethoxyphosphanium
CID 20566646
bis(benzylperoxy)-oxophosphanium
CID 22644121
ethane;phenylmethoxymethylbenzene
CID 90943549
disodium bis(oxido-oxo-phenylmethoxyphosphanium)
CID 171808155
phenylmethoxymethyl nitrate
CID 152715822
dichloromethane;phenylmethoxymethylbenzene
CID 174530379
acetic acid;phenylmethoxymethylbenzene
CID 175214238
phenylmethoxymethylbenzene;phosphoric acid
CID 141118417

Frequently Asked Questions

What is the IUPAC name of oxo-bis(phenylmethoxymethoxy)phosphanium?
The IUPAC name of oxo-bis(phenylmethoxymethoxy)phosphanium (CID 68931387) is oxo-bis(phenylmethoxymethoxy)phosphanium.
What is the SMILES notation for oxo-bis(phenylmethoxymethoxy)phosphanium?
The canonical SMILES for oxo-bis(phenylmethoxymethoxy)phosphanium is O=[P+](OCOCc1ccccc1)OCOCc1ccccc1.
What is the InChIKey of oxo-bis(phenylmethoxymethoxy)phosphanium?
The InChIKey is OEFNGYIBNGRPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O5P/c17-22(20-13-18-11-15-7-3-1-4-8-15)21-14-19-12-16-9-5-2-6-10-16/h1-10H,11-14H2/q+1.
What are the key properties of oxo-bis(phenylmethoxymethoxy)phosphanium?
oxo-bis(phenylmethoxymethoxy)phosphanium has a molecular weight of 321.29 g/mol, XLogP of 4.03, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-bis(phenylmethoxymethoxy)phosphanium is sourced from PubChem (CID 68931387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).