oxo-phenyl-propylphosphanium

C9H12OP+ — CID 19035096

IUPACoxo-phenyl-propylphosphanium
SMILESCCC[P+](=O)c1ccccc1
InChIInChI=1S/C9H12OP/c1-2-8-11(10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3/q+1
InChIKeyMFWNILUMEJOVKW-UHFFFAOYSA-N
MW167.17 g/mol
LogP2.55
Rot. Bonds3

About oxo-phenyl-propylphosphanium

oxo-phenyl-propylphosphanium (PubChem CID 19035096) has the molecular formula C9H12OP+ and a molecular weight of 167.17 g/mol. Its IUPAC name is oxo-phenyl-propylphosphanium.

Molecular Properties

Compound Nameoxo-phenyl-propylphosphanium
PubChem CID19035096
Molecular FormulaC9H12OP+
Molecular Weight167.17 g/mol
Exact Mass167.06
IUPAC Nameoxo-phenyl-propylphosphanium
SMILESCCC[P+](=O)c1ccccc1
InChIInChI=1S/C9H12OP/c1-2-8-11(10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3/q+1
InChIKeyMFWNILUMEJOVKW-UHFFFAOYSA-N
XLogP2.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 52.55
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

3-methylbutyl-oxo-phenylphosphanium
CID 141015924
diphenylphosphane;ethyl-oxo-phenylphosphanium
CID 174463449
diethylamino-oxo-phenylphosphanium
CID 12513100
1-iodobutyl-oxo-phenylphosphanium
CID 163843662
methanol;oxo(diphenyl)phosphanium
CID 174996285
sodium oxido-oxo-phenylphosphanium
CID 6364990
tetrakis(butan-1-ol);hydroxy-oxo-phenylphosphanium;titanium
CID 173147544
cadmium;oxo(diphenyl)phosphanium
CID 174925548
heptoxy-oxo-phenylphosphanium
CID 14512427
dichloroplatinum;oxo(diphenyl)phosphanium
CID 174623297
oxo-(2-phenylmethoxyethyl)-propylphosphanium
CID 122413177
benzyl-octyl-oxophosphanium
CID 19938725

Frequently Asked Questions

What is the IUPAC name of oxo-phenyl-propylphosphanium?
The IUPAC name of oxo-phenyl-propylphosphanium (CID 19035096) is oxo-phenyl-propylphosphanium.
What is the SMILES notation for oxo-phenyl-propylphosphanium?
The canonical SMILES for oxo-phenyl-propylphosphanium is CCC[P+](=O)c1ccccc1.
What is the InChIKey of oxo-phenyl-propylphosphanium?
The InChIKey is MFWNILUMEJOVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OP/c1-2-8-11(10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3/q+1.
What are the key properties of oxo-phenyl-propylphosphanium?
oxo-phenyl-propylphosphanium has a molecular weight of 167.17 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-phenyl-propylphosphanium is sourced from PubChem (CID 19035096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).