4-chlorobutanoyl chloride;hydroxy(oxo)phosphanium

C4H8Cl2O3P+ — CID 88813619

IUPAC4-chlorobutanoyl chloride;hydroxy(oxo)phosphanium
SMILESO=C(Cl)CCCCl.O=[PH+]O
InChIInChI=1S/C4H6Cl2O.HO2P/c5-3-1-2-4(6)7;1-3-2/h1-3H2;3H/p+1
InChIKeyXFFNXEWJZFKQEQ-UHFFFAOYSA-O
MW205.98 g/mol
LogP1.69
Rot. Bonds3

About 4-chlorobutanoyl chloride;hydroxy(oxo)phosphanium

4-chlorobutanoyl chloride;hydroxy(oxo)phosphanium (PubChem CID 88813619) has the molecular formula C4H8Cl2O3P+ and a molecular weight of 205.98 g/mol. Its IUPAC name is 4-chlorobutanoyl chloride;hydroxy(oxo)phosphanium.

Molecular Properties

Compound Name4-chlorobutanoyl chloride;hydroxy(oxo)phosphanium
PubChem CID88813619
Molecular FormulaC4H8Cl2O3P+
Molecular Weight205.98 g/mol
Exact Mass204.96
IUPAC Name4-chlorobutanoyl chloride;hydroxy(oxo)phosphanium
SMILESO=C(Cl)CCCCl.O=[PH+]O
InChIInChI=1S/C4H6Cl2O.HO2P/c5-3-1-2-4(6)7;1-3-2/h1-3H2;3H/p+1
InChIKeyXFFNXEWJZFKQEQ-UHFFFAOYSA-O
XLogP1.69
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.98
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-chlorobutanoyl chloride;hydroxy(oxo)phosphanium 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 4-chlorobutanoyl chloride;hydroxy(oxo)phosphanium?
The IUPAC name of 4-chlorobutanoyl chloride;hydroxy(oxo)phosphanium (CID 88813619) is 4-chlorobutanoyl chloride;hydroxy(oxo)phosphanium.
What is the SMILES notation for 4-chlorobutanoyl chloride;hydroxy(oxo)phosphanium?
The canonical SMILES for 4-chlorobutanoyl chloride;hydroxy(oxo)phosphanium is O=C(Cl)CCCCl.O=[PH+]O.
What is the InChIKey of 4-chlorobutanoyl chloride;hydroxy(oxo)phosphanium?
The InChIKey is XFFNXEWJZFKQEQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H6Cl2O.HO2P/c5-3-1-2-4(6)7;1-3-2/h1-3H2;3H/p+1.
What are the key properties of 4-chlorobutanoyl chloride;hydroxy(oxo)phosphanium?
4-chlorobutanoyl chloride;hydroxy(oxo)phosphanium has a molecular weight of 205.98 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobutanoyl chloride;hydroxy(oxo)phosphanium is sourced from PubChem (CID 88813619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).