dichloro-ethyl-hydroxyphosphanium

C2H6Cl2OP+ — CID 87057718

IUPACdichloro-ethyl-hydroxyphosphanium
SMILESCC[P+](O)(Cl)Cl
InChIInChI=1S/C2H6Cl2OP/c1-2-6(3,4)5/h5H,2H2,1H3/q+1
InChIKeyVLAGSCDSBRUUHE-UHFFFAOYSA-N
MW147.95 g/mol
LogP2.24
Rot. Bonds1

About dichloro-ethyl-hydroxyphosphanium

dichloro-ethyl-hydroxyphosphanium (PubChem CID 87057718) has the molecular formula C2H6Cl2OP+ and a molecular weight of 147.95 g/mol. Its IUPAC name is dichloro-ethyl-hydroxyphosphanium.

Molecular Properties

Compound Namedichloro-ethyl-hydroxyphosphanium
PubChem CID87057718
Molecular FormulaC2H6Cl2OP+
Molecular Weight147.95 g/mol
Exact Mass146.95
IUPAC Namedichloro-ethyl-hydroxyphosphanium
SMILESCC[P+](O)(Cl)Cl
InChIInChI=1S/C2H6Cl2OP/c1-2-6(3,4)5/h5H,2H2,1H3/q+1
InChIKeyVLAGSCDSBRUUHE-UHFFFAOYSA-N
XLogP2.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.95
LogP ≤ 52.24
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-ethyl-hydroxyphosphanium?
The IUPAC name of dichloro-ethyl-hydroxyphosphanium (CID 87057718) is dichloro-ethyl-hydroxyphosphanium.
What is the SMILES notation for dichloro-ethyl-hydroxyphosphanium?
The canonical SMILES for dichloro-ethyl-hydroxyphosphanium is CC[P+](O)(Cl)Cl.
What is the InChIKey of dichloro-ethyl-hydroxyphosphanium?
The InChIKey is VLAGSCDSBRUUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6Cl2OP/c1-2-6(3,4)5/h5H,2H2,1H3/q+1.
What are the key properties of dichloro-ethyl-hydroxyphosphanium?
dichloro-ethyl-hydroxyphosphanium has a molecular weight of 147.95 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-ethyl-hydroxyphosphanium is sourced from PubChem (CID 87057718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).