dichloro-hydroxy-propan-2-ylphosphanium

C3H8Cl2OP+ — CID 88598188

IUPACdichloro-hydroxy-propan-2-ylphosphanium
SMILESCC(C)[P+](O)(Cl)Cl
InChIInChI=1S/C3H8Cl2OP/c1-3(2)7(4,5)6/h3,6H,1-2H3/q+1
InChIKeyZHEUZACWPLABAG-UHFFFAOYSA-N
MW161.98 g/mol
LogP2.63
Rot. Bonds1

About dichloro-hydroxy-propan-2-ylphosphanium

dichloro-hydroxy-propan-2-ylphosphanium (PubChem CID 88598188) has the molecular formula C3H8Cl2OP+ and a molecular weight of 161.98 g/mol. Its IUPAC name is dichloro-hydroxy-propan-2-ylphosphanium.

Molecular Properties

Compound Namedichloro-hydroxy-propan-2-ylphosphanium
PubChem CID88598188
Molecular FormulaC3H8Cl2OP+
Molecular Weight161.98 g/mol
Exact Mass160.97
IUPAC Namedichloro-hydroxy-propan-2-ylphosphanium
SMILESCC(C)[P+](O)(Cl)Cl
InChIInChI=1S/C3H8Cl2OP/c1-3(2)7(4,5)6/h3,6H,1-2H3/q+1
InChIKeyZHEUZACWPLABAG-UHFFFAOYSA-N
XLogP2.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.98
LogP ≤ 52.63
H-Bond Donors ≤ 51
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 dichloro-hydroxy-propan-2-ylphosphanium?
The IUPAC name of dichloro-hydroxy-propan-2-ylphosphanium (CID 88598188) is dichloro-hydroxy-propan-2-ylphosphanium.
What is the SMILES notation for dichloro-hydroxy-propan-2-ylphosphanium?
The canonical SMILES for dichloro-hydroxy-propan-2-ylphosphanium is CC(C)[P+](O)(Cl)Cl.
What is the InChIKey of dichloro-hydroxy-propan-2-ylphosphanium?
The InChIKey is ZHEUZACWPLABAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8Cl2OP/c1-3(2)7(4,5)6/h3,6H,1-2H3/q+1.
What are the key properties of dichloro-hydroxy-propan-2-ylphosphanium?
dichloro-hydroxy-propan-2-ylphosphanium has a molecular weight of 161.98 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-hydroxy-propan-2-ylphosphanium is sourced from PubChem (CID 88598188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).