methanol;oxo(diphenyl)phosphanium

C13H14O2P+ — CID 174996285

IUPACmethanol;oxo(diphenyl)phosphanium
SMILESCO.O=[P+](c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10OP.CH4O/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2/h1-10H;2H,1H3/q+1;
InChIKeyPDZSYPOLSBYLQK-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.07
Rot. Bonds2

About methanol;oxo(diphenyl)phosphanium

methanol;oxo(diphenyl)phosphanium (PubChem CID 174996285) has the molecular formula C13H14O2P+ and a molecular weight of 233.23 g/mol. Its IUPAC name is methanol;oxo(diphenyl)phosphanium.

Molecular Properties

Compound Namemethanol;oxo(diphenyl)phosphanium
PubChem CID174996285
Molecular FormulaC13H14O2P+
Molecular Weight233.23 g/mol
Exact Mass233.07
IUPAC Namemethanol;oxo(diphenyl)phosphanium
SMILESCO.O=[P+](c1ccccc1)c1ccccc1
InChIInChI=1S/C12H10OP.CH4O/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2/h1-10H;2H,1H3/q+1;
InChIKeyPDZSYPOLSBYLQK-UHFFFAOYSA-N
XLogP2.07
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cadmium;oxo(diphenyl)phosphanium
CID 174925548
dichloroplatinum;oxo(diphenyl)phosphanium
CID 174623297
oxo(diphenyl)phosphanium;2,4,6-trimethylbenzoic acid
CID 158979600
oxo(diphenyl)phosphanium;phenyl-(2,4,6-trimethylphenyl)methanone
CID 158212605
hydroxy-oxo-phenylphosphanium;zinc
CID 66795245
hydroxy-oxo-phenylphosphanium;hydrochloride
CID 172693291
oxo-bis(3-phenylphenyl)phosphanium
CID 71115203
dimagnesium;hydroxy-oxo-phenylphosphanium;tetrachloride
CID 172736603
[3-[(2-methylpropan-2-yl)oxy]phenyl]-oxo-phenylphosphanium
CID 67297727
(2-chlorophenyl)-oxo-phenylphosphanium
CID 67297944
barium(2+);bis(oxido-oxo-phenylphosphanium)
CID 12822253
sodium oxido-oxo-phenylphosphanium
CID 6364990

Frequently Asked Questions

What is the IUPAC name of methanol;oxo(diphenyl)phosphanium?
The IUPAC name of methanol;oxo(diphenyl)phosphanium (CID 174996285) is methanol;oxo(diphenyl)phosphanium.
What is the SMILES notation for methanol;oxo(diphenyl)phosphanium?
The canonical SMILES for methanol;oxo(diphenyl)phosphanium is CO.O=[P+](c1ccccc1)c1ccccc1.
What is the InChIKey of methanol;oxo(diphenyl)phosphanium?
The InChIKey is PDZSYPOLSBYLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10OP.CH4O/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2/h1-10H;2H,1H3/q+1;.
What are the key properties of methanol;oxo(diphenyl)phosphanium?
methanol;oxo(diphenyl)phosphanium has a molecular weight of 233.23 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;oxo(diphenyl)phosphanium is sourced from PubChem (CID 174996285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).