chloro-oxo-(2,4,6-trimethylphenyl)phosphanium

C9H11ClOP+ — CID 89287459

IUPACchloro-oxo-(2,4,6-trimethylphenyl)phosphanium
SMILESCc1cc(C)c([P+](=O)Cl)c(C)c1
InChIInChI=1S/C9H11ClOP/c1-6-4-7(2)9(12(10)11)8(3)5-6/h4-5H,1-3H3/q+1
InChIKeyFWYUJCVPSSMCNW-UHFFFAOYSA-N
MW201.61 g/mol
LogP3.22
Rot. Bonds1

About chloro-oxo-(2,4,6-trimethylphenyl)phosphanium

chloro-oxo-(2,4,6-trimethylphenyl)phosphanium (PubChem CID 89287459) has the molecular formula C9H11ClOP+ and a molecular weight of 201.61 g/mol. Its IUPAC name is chloro-oxo-(2,4,6-trimethylphenyl)phosphanium.

Molecular Properties

Compound Namechloro-oxo-(2,4,6-trimethylphenyl)phosphanium
PubChem CID89287459
Molecular FormulaC9H11ClOP+
Molecular Weight201.61 g/mol
Exact Mass201.02
IUPAC Namechloro-oxo-(2,4,6-trimethylphenyl)phosphanium
SMILESCc1cc(C)c([P+](=O)Cl)c(C)c1
InChIInChI=1S/C9H11ClOP/c1-6-4-7(2)9(12(10)11)8(3)5-6/h4-5H,1-3H3/q+1
InChIKeyFWYUJCVPSSMCNW-UHFFFAOYSA-N
XLogP3.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-oxo-(2,4,6-trimethylphenyl)phosphanium?
The IUPAC name of chloro-oxo-(2,4,6-trimethylphenyl)phosphanium (CID 89287459) is chloro-oxo-(2,4,6-trimethylphenyl)phosphanium.
What is the SMILES notation for chloro-oxo-(2,4,6-trimethylphenyl)phosphanium?
The canonical SMILES for chloro-oxo-(2,4,6-trimethylphenyl)phosphanium is Cc1cc(C)c([P+](=O)Cl)c(C)c1.
What is the InChIKey of chloro-oxo-(2,4,6-trimethylphenyl)phosphanium?
The InChIKey is FWYUJCVPSSMCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClOP/c1-6-4-7(2)9(12(10)11)8(3)5-6/h4-5H,1-3H3/q+1.
What are the key properties of chloro-oxo-(2,4,6-trimethylphenyl)phosphanium?
chloro-oxo-(2,4,6-trimethylphenyl)phosphanium has a molecular weight of 201.61 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-oxo-(2,4,6-trimethylphenyl)phosphanium is sourced from PubChem (CID 89287459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).