bis(2-methylphenyl)-oxophosphanium

C14H14OP+ — CID 15751683

IUPACbis(2-methylphenyl)-oxophosphanium
SMILESCc1ccccc1[P+](=O)c1ccccc1C
InChIInChI=1S/C14H14OP/c1-11-7-3-5-9-13(11)16(15)14-10-6-4-8-12(14)2/h3-10H,1-2H3/q+1
InChIKeyPSUGZNIRWGKEPG-UHFFFAOYSA-N
MW229.24 g/mol
LogP3.08
Rot. Bonds2

About bis(2-methylphenyl)-oxophosphanium

bis(2-methylphenyl)-oxophosphanium (PubChem CID 15751683) has the molecular formula C14H14OP+ and a molecular weight of 229.24 g/mol. Its IUPAC name is bis(2-methylphenyl)-oxophosphanium.

Molecular Properties

Compound Namebis(2-methylphenyl)-oxophosphanium
PubChem CID15751683
Molecular FormulaC14H14OP+
Molecular Weight229.24 g/mol
Exact Mass229.08
IUPAC Namebis(2-methylphenyl)-oxophosphanium
SMILESCc1ccccc1[P+](=O)c1ccccc1C
InChIInChI=1S/C14H14OP/c1-11-7-3-5-9-13(11)16(15)14-10-6-4-8-12(14)2/h3-10H,1-2H3/q+1
InChIKeyPSUGZNIRWGKEPG-UHFFFAOYSA-N
XLogP3.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 53.08
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

zinc bis((2-methylphenyl)-oxido-oxophosphanium)
CID 87309125
dihydroxy(oxo)phosphanium;tris(1,2-xylene)
CID 175961535
methyl-(2-methylphenyl)-sulfanylidenephosphanium
CID 56633604
1,2-xylene
CID 173422016
benzene;1,2-xylene
CID 161464493
1,2-xylene;trihydrochloride
CID 70594732
vanadium;1,2-xylene
CID 143581691
1,2-xylene;zirconium
CID 174354618
1,2-xylene;tetrahydrobromide
CID 172843014
silver;1,2-xylene
CID 158486133
azane;1,2-xylene
CID 174280305
sodium;hydride;1,2-xylene
CID 173009635

Frequently Asked Questions

What is the IUPAC name of bis(2-methylphenyl)-oxophosphanium?
The IUPAC name of bis(2-methylphenyl)-oxophosphanium (CID 15751683) is bis(2-methylphenyl)-oxophosphanium.
What is the SMILES notation for bis(2-methylphenyl)-oxophosphanium?
The canonical SMILES for bis(2-methylphenyl)-oxophosphanium is Cc1ccccc1[P+](=O)c1ccccc1C.
What is the InChIKey of bis(2-methylphenyl)-oxophosphanium?
The InChIKey is PSUGZNIRWGKEPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OP/c1-11-7-3-5-9-13(11)16(15)14-10-6-4-8-12(14)2/h3-10H,1-2H3/q+1.
What are the key properties of bis(2-methylphenyl)-oxophosphanium?
bis(2-methylphenyl)-oxophosphanium has a molecular weight of 229.24 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-methylphenyl)-oxophosphanium is sourced from PubChem (CID 15751683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).