oxo-(2-phenylmethoxyethyl)-propylphosphanium

C12H18O2P+ — CID 122413177

IUPACoxo-(2-phenylmethoxyethyl)-propylphosphanium
SMILESCCC[P+](=O)CCOCc1ccccc1
InChIInChI=1S/C12H18O2P/c1-2-9-15(13)10-8-14-11-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3/q+1
InChIKeyUGOYOINPBBIHPZ-UHFFFAOYSA-N
MW225.25 g/mol
LogP3.44
Rot. Bonds7

About oxo-(2-phenylmethoxyethyl)-propylphosphanium

oxo-(2-phenylmethoxyethyl)-propylphosphanium (PubChem CID 122413177) has the molecular formula C12H18O2P+ and a molecular weight of 225.25 g/mol. Its IUPAC name is oxo-(2-phenylmethoxyethyl)-propylphosphanium.

Molecular Properties

Compound Nameoxo-(2-phenylmethoxyethyl)-propylphosphanium
PubChem CID122413177
Molecular FormulaC12H18O2P+
Molecular Weight225.25 g/mol
Exact Mass225.10
IUPAC Nameoxo-(2-phenylmethoxyethyl)-propylphosphanium
SMILESCCC[P+](=O)CCOCc1ccccc1
InChIInChI=1S/C12H18O2P/c1-2-9-15(13)10-8-14-11-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3/q+1
InChIKeyUGOYOINPBBIHPZ-UHFFFAOYSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
CID 153014245
butoxymethylbenzene;ethane
CID 145341806
lithium;butoxymethylbenzene;hydride
CID 175482454
acetic acid;butoxymethylbenzene
CID 139463153
azane;hexoxymethylbenzene
CID 174805489
formaldehyde;octoxymethylbenzene;tungsten
CID 173433681
oct-4-ynoxymethylbenzene
CID 11063850
(213C)ethoxymethylbenzene
CID 87947851
2-hexadecoxyethoxymethylbenzene
CID 19965709
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482

Frequently Asked Questions

What is the IUPAC name of oxo-(2-phenylmethoxyethyl)-propylphosphanium?
The IUPAC name of oxo-(2-phenylmethoxyethyl)-propylphosphanium (CID 122413177) is oxo-(2-phenylmethoxyethyl)-propylphosphanium.
What is the SMILES notation for oxo-(2-phenylmethoxyethyl)-propylphosphanium?
The canonical SMILES for oxo-(2-phenylmethoxyethyl)-propylphosphanium is CCC[P+](=O)CCOCc1ccccc1.
What is the InChIKey of oxo-(2-phenylmethoxyethyl)-propylphosphanium?
The InChIKey is UGOYOINPBBIHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O2P/c1-2-9-15(13)10-8-14-11-12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3/q+1.
What are the key properties of oxo-(2-phenylmethoxyethyl)-propylphosphanium?
oxo-(2-phenylmethoxyethyl)-propylphosphanium has a molecular weight of 225.25 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-(2-phenylmethoxyethyl)-propylphosphanium is sourced from PubChem (CID 122413177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).