chloromethyl-oxo-phenoxyphosphanium

C7H7ClO2P+ — CID 174746789

IUPACchloromethyl-oxo-phenoxyphosphanium
SMILESO=[P+](CCl)Oc1ccccc1
InChIInChI=1S/C7H7ClO2P/c8-6-11(9)10-7-4-2-1-3-5-7/h1-5H,6H2/q+1
InChIKeyGVYOVZXXFVPIJX-UHFFFAOYSA-N
MW189.56 g/mol
LogP3.00
Rot. Bonds3

About chloromethyl-oxo-phenoxyphosphanium

chloromethyl-oxo-phenoxyphosphanium (PubChem CID 174746789) has the molecular formula C7H7ClO2P+ and a molecular weight of 189.56 g/mol. Its IUPAC name is chloromethyl-oxo-phenoxyphosphanium.

Molecular Properties

Compound Namechloromethyl-oxo-phenoxyphosphanium
PubChem CID174746789
Molecular FormulaC7H7ClO2P+
Molecular Weight189.56 g/mol
Exact Mass188.99
IUPAC Namechloromethyl-oxo-phenoxyphosphanium
SMILESO=[P+](CCl)Oc1ccccc1
InChIInChI=1S/C7H7ClO2P/c8-6-11(9)10-7-4-2-1-3-5-7/h1-5H,6H2/q+1
InChIKeyGVYOVZXXFVPIJX-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cerium;ethyl-oxo-phenoxyphosphanium
CID 174771782
2-aminoethyl-oxo-phenoxyphosphanium
CID 90917693
cobalt;oxo(diphenoxy)phosphanium
CID 162036820
copper;oxo(diphenoxy)phosphanium
CID 158842365
2-carboxyethyl-oxo-phenoxyphosphanium;zinc
CID 174937996
oxo-pentyl-phenoxyphosphanium
CID 67135329
hexyl-oxo-phenoxyphosphanium
CID 67135564
oxo-phenoxy-phosphanylphosphanium
CID 154139481
2-carboxypropyl-oxo-phenoxyphosphanium
CID 57039771
copper(1+);oxido-oxo-phenoxyphosphanium
CID 166721703
disodium;bis(oxido-oxo-phenoxyphosphanium);dihydrate
CID 71431251
(2-hydroxy-3-methylcycloprop-2-en-1-yl)oxymethyl-oxo-phenoxyphosphanium
CID 163797832

Frequently Asked Questions

What is the IUPAC name of chloromethyl-oxo-phenoxyphosphanium?
The IUPAC name of chloromethyl-oxo-phenoxyphosphanium (CID 174746789) is chloromethyl-oxo-phenoxyphosphanium.
What is the SMILES notation for chloromethyl-oxo-phenoxyphosphanium?
The canonical SMILES for chloromethyl-oxo-phenoxyphosphanium is O=[P+](CCl)Oc1ccccc1.
What is the InChIKey of chloromethyl-oxo-phenoxyphosphanium?
The InChIKey is GVYOVZXXFVPIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO2P/c8-6-11(9)10-7-4-2-1-3-5-7/h1-5H,6H2/q+1.
What are the key properties of chloromethyl-oxo-phenoxyphosphanium?
chloromethyl-oxo-phenoxyphosphanium has a molecular weight of 189.56 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl-oxo-phenoxyphosphanium is sourced from PubChem (CID 174746789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).