bis(3,5-dimethylphenyl)-oxophosphanium

C16H18OP+ — CID 12022244

IUPACbis(3,5-dimethylphenyl)-oxophosphanium
SMILESCc1cc(C)cc([P+](=O)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C16H18OP/c1-11-5-12(2)8-15(7-11)18(17)16-9-13(3)6-14(4)10-16/h5-10H,1-4H3/q+1
InChIKeyLMXRTXPFJNGAAX-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.70
Rot. Bonds2

About bis(3,5-dimethylphenyl)-oxophosphanium

bis(3,5-dimethylphenyl)-oxophosphanium (PubChem CID 12022244) has the molecular formula C16H18OP+ and a molecular weight of 257.29 g/mol. Its IUPAC name is bis(3,5-dimethylphenyl)-oxophosphanium.

Molecular Properties

Compound Namebis(3,5-dimethylphenyl)-oxophosphanium
PubChem CID12022244
Molecular FormulaC16H18OP+
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Namebis(3,5-dimethylphenyl)-oxophosphanium
SMILESCc1cc(C)cc([P+](=O)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C16H18OP/c1-11-5-12(2)8-15(7-11)18(17)16-9-13(3)6-14(4)10-16/h5-10H,1-4H3/q+1
InChIKeyLMXRTXPFJNGAAX-UHFFFAOYSA-N
XLogP3.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze bis(3,5-dimethylphenyl)-oxophosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(3,5-dimethylphenyl)-oxophosphanium?
The IUPAC name of bis(3,5-dimethylphenyl)-oxophosphanium (CID 12022244) is bis(3,5-dimethylphenyl)-oxophosphanium.
What is the SMILES notation for bis(3,5-dimethylphenyl)-oxophosphanium?
The canonical SMILES for bis(3,5-dimethylphenyl)-oxophosphanium is Cc1cc(C)cc([P+](=O)c2cc(C)cc(C)c2)c1.
What is the InChIKey of bis(3,5-dimethylphenyl)-oxophosphanium?
The InChIKey is LMXRTXPFJNGAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18OP/c1-11-5-12(2)8-15(7-11)18(17)16-9-13(3)6-14(4)10-16/h5-10H,1-4H3/q+1.
What are the key properties of bis(3,5-dimethylphenyl)-oxophosphanium?
bis(3,5-dimethylphenyl)-oxophosphanium has a molecular weight of 257.29 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-dimethylphenyl)-oxophosphanium is sourced from PubChem (CID 12022244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).