chloro-oxo-phenylmethoxyphosphanium

C7H7ClO2P+ — CID 23320599

IUPACchloro-oxo-phenylmethoxyphosphanium
SMILESO=[P+](Cl)OCc1ccccc1
InChIInChI=1S/C7H7ClO2P/c8-11(9)10-6-7-4-2-1-3-5-7/h1-5H,6H2/q+1
InChIKeyYLBUZEXQXHAYAL-UHFFFAOYSA-N
MW189.56 g/mol
LogP3.10
Rot. Bonds3

About chloro-oxo-phenylmethoxyphosphanium

chloro-oxo-phenylmethoxyphosphanium (PubChem CID 23320599) has the molecular formula C7H7ClO2P+ and a molecular weight of 189.56 g/mol. Its IUPAC name is chloro-oxo-phenylmethoxyphosphanium.

Molecular Properties

Compound Namechloro-oxo-phenylmethoxyphosphanium
PubChem CID23320599
Molecular FormulaC7H7ClO2P+
Molecular Weight189.56 g/mol
Exact Mass188.99
IUPAC Namechloro-oxo-phenylmethoxyphosphanium
SMILESO=[P+](Cl)OCc1ccccc1
InChIInChI=1S/C7H7ClO2P/c8-11(9)10-6-7-4-2-1-3-5-7/h1-5H,6H2/q+1
InChIKeyYLBUZEXQXHAYAL-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.56
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze chloro-oxo-phenylmethoxyphosphanium with MolForge

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

Launch Full Analysis

Related Compounds

dihydroxy(oxo)phosphanium;oxo-bis(phenylmethoxy)phosphanium
CID 159366011
methyl-oxo-phenylmethoxyphosphanium
CID 20566646
disodium bis(oxido-oxo-phenylmethoxyphosphanium)
CID 171808155
oxo-(2-phenylethoxy)-phenylmethoxyphosphanium
CID 70073621
oxo-bis(phenylmethoxymethoxy)phosphanium
CID 68931387
bis(phenylmethoxy)phosphorylmethyl-oxo-phenylmethoxyphosphanium
CID 155609893
bis(benzylperoxy)-oxophosphanium
CID 22644121
oxo-pent-2-enyl-phenylmethoxyphosphanium
CID 74601015
dichloromethane;phenylmethoxymethylbenzene
CID 174530379
CID 66734377
CID 66734377
benzyl carbonochloridate
CID 10387
ethane;phenylmethoxymethylbenzene
CID 90943549

Frequently Asked Questions

What is the IUPAC name of chloro-oxo-phenylmethoxyphosphanium?
The IUPAC name of chloro-oxo-phenylmethoxyphosphanium (CID 23320599) is chloro-oxo-phenylmethoxyphosphanium.
What is the SMILES notation for chloro-oxo-phenylmethoxyphosphanium?
The canonical SMILES for chloro-oxo-phenylmethoxyphosphanium is O=[P+](Cl)OCc1ccccc1.
What is the InChIKey of chloro-oxo-phenylmethoxyphosphanium?
The InChIKey is YLBUZEXQXHAYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO2P/c8-11(9)10-6-7-4-2-1-3-5-7/h1-5H,6H2/q+1.
What are the key properties of chloro-oxo-phenylmethoxyphosphanium?
chloro-oxo-phenylmethoxyphosphanium has a molecular weight of 189.56 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-oxo-phenylmethoxyphosphanium is sourced from PubChem (CID 23320599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).