oxo(2-phenylethyl)phosphanium

C8H10OP+ — CID 154134221

IUPACoxo(2-phenylethyl)phosphanium
SMILESO=[PH+]CCc1ccccc1
InChIInChI=1S/C8H9OP/c9-10-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2/p+1
InChIKeyYFRJFIICIIUSPF-UHFFFAOYSA-O
MW153.14 g/mol
LogP2.25
Rot. Bonds3

About oxo(2-phenylethyl)phosphanium

oxo(2-phenylethyl)phosphanium (PubChem CID 154134221) has the molecular formula C8H10OP+ and a molecular weight of 153.14 g/mol. Its IUPAC name is oxo(2-phenylethyl)phosphanium.

Molecular Properties

Compound Nameoxo(2-phenylethyl)phosphanium
PubChem CID154134221
Molecular FormulaC8H10OP+
Molecular Weight153.14 g/mol
Exact Mass153.05
IUPAC Nameoxo(2-phenylethyl)phosphanium
SMILESO=[PH+]CCc1ccccc1
InChIInChI=1S/C8H9OP/c9-10-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2/p+1
InChIKeyYFRJFIICIIUSPF-UHFFFAOYSA-O
XLogP2.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzene;2-phenylethylbenzene
CID 18982764
benzyl(oxo)phosphanium
CID 123164932
hafnium;2-phenylethylbenzene
CID 173109801
hydroxy(oxo)phosphanium;2-phenylethanamine
CID 173363711
alumane;2-phenylethylbenzene;hydrobromide
CID 173446278
4-phenylbutylbenzene
CID 141301927
CID 159131095
CID 159131095
methane;4-phenylbutylbenzene
CID 173386802
ethane;methane;2-phenylethylbenzene
CID 158652330
1,4-bis(3-phenylpropyl)benzene
CID 59467322
hafnium;4-phenylbutylbenzene
CID 175889972
1,1-dideuterio-2-phenyl(113C)ethanol
CID 10419181

Frequently Asked Questions

What is the IUPAC name of oxo(2-phenylethyl)phosphanium?
The IUPAC name of oxo(2-phenylethyl)phosphanium (CID 154134221) is oxo(2-phenylethyl)phosphanium.
What is the SMILES notation for oxo(2-phenylethyl)phosphanium?
The canonical SMILES for oxo(2-phenylethyl)phosphanium is O=[PH+]CCc1ccccc1.
What is the InChIKey of oxo(2-phenylethyl)phosphanium?
The InChIKey is YFRJFIICIIUSPF-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H9OP/c9-10-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2/p+1.
What are the key properties of oxo(2-phenylethyl)phosphanium?
oxo(2-phenylethyl)phosphanium has a molecular weight of 153.14 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxo(2-phenylethyl)phosphanium is sourced from PubChem (CID 154134221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).