benzyl(oxo)phosphanium

C7H8OP+ — CID 123164932

IUPACbenzyl(oxo)phosphanium
SMILESO=[PH+]Cc1ccccc1
InChIInChI=1S/C7H7OP/c8-9-6-7-4-2-1-3-5-7/h1-5H,6H2/p+1
InChIKeyYSUVXWLFCHRCMI-UHFFFAOYSA-O
MW139.11 g/mol
LogP2.21
Rot. Bonds2

About benzyl(oxo)phosphanium

benzyl(oxo)phosphanium (PubChem CID 123164932) has the molecular formula C7H8OP+ and a molecular weight of 139.11 g/mol. Its IUPAC name is benzyl(oxo)phosphanium.

Molecular Properties

Compound Namebenzyl(oxo)phosphanium
PubChem CID123164932
Molecular FormulaC7H8OP+
Molecular Weight139.11 g/mol
Exact Mass139.03
IUPAC Namebenzyl(oxo)phosphanium
SMILESO=[PH+]Cc1ccccc1
InChIInChI=1S/C7H7OP/c8-9-6-7-4-2-1-3-5-7/h1-5H,6H2/p+1
InChIKeyYSUVXWLFCHRCMI-UHFFFAOYSA-O
XLogP2.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.11
LogP ≤ 52.21
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

oxo(2-phenylethyl)phosphanium
CID 154134221
hydroxy(oxo)phosphanium;phenylmethanol
CID 173314603
phenyl(113C)methylbenzene
CID 11194569
benzene;2-phenylethylbenzene
CID 18982764
potassium phenylmethanolate
CID 23672811
tribenzyl(tribenzylsilyl)silane
CID 4650468
hydroxy(oxo)phosphanium;2-phenylethanamine
CID 173363711
lithium;benzylbenzene;diisocyanate
CID 19690442
[(1S)-1,2-diphenylethyl]-oxophosphanium
CID 97050342
benzene;hydroxy(oxo)phosphanium;prop-2-enylbenzene
CID 173443660
magnesium;phenylmethanolate;chloride
CID 14984940
hafnium;2-phenylethylbenzene
CID 173109801

Frequently Asked Questions

What is the IUPAC name of benzyl(oxo)phosphanium?
The IUPAC name of benzyl(oxo)phosphanium (CID 123164932) is benzyl(oxo)phosphanium.
What is the SMILES notation for benzyl(oxo)phosphanium?
The canonical SMILES for benzyl(oxo)phosphanium is O=[PH+]Cc1ccccc1.
What is the InChIKey of benzyl(oxo)phosphanium?
The InChIKey is YSUVXWLFCHRCMI-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H7OP/c8-9-6-7-4-2-1-3-5-7/h1-5H,6H2/p+1.
What are the key properties of benzyl(oxo)phosphanium?
benzyl(oxo)phosphanium has a molecular weight of 139.11 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(oxo)phosphanium is sourced from PubChem (CID 123164932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).