1-chlorobut-3-enyl-hydroxy-oxophosphanium

C4H7ClO2P+ — CID 57100888

IUPAC1-chlorobut-3-enyl-hydroxy-oxophosphanium
SMILESC=CCC(Cl)[P+](=O)O
InChIInChI=1S/C4H6ClO2P/c1-2-3-4(5)8(6)7/h2,4H,1,3H2/p+1
InChIKeyABZZLMBPSAESHU-UHFFFAOYSA-O
MW153.52 g/mol
LogP1.86
Rot. Bonds3

About 1-chlorobut-3-enyl-hydroxy-oxophosphanium

1-chlorobut-3-enyl-hydroxy-oxophosphanium (PubChem CID 57100888) has the molecular formula C4H7ClO2P+ and a molecular weight of 153.52 g/mol. Its IUPAC name is 1-chlorobut-3-enyl-hydroxy-oxophosphanium.

Molecular Properties

Compound Name1-chlorobut-3-enyl-hydroxy-oxophosphanium
PubChem CID57100888
Molecular FormulaC4H7ClO2P+
Molecular Weight153.52 g/mol
Exact Mass152.99
IUPAC Name1-chlorobut-3-enyl-hydroxy-oxophosphanium
SMILESC=CCC(Cl)[P+](=O)O
InChIInChI=1S/C4H6ClO2P/c1-2-3-4(5)8(6)7/h2,4H,1,3H2/p+1
InChIKeyABZZLMBPSAESHU-UHFFFAOYSA-O
XLogP1.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.52
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chlorobut-3-enyl-hydroxy-oxophosphanium?
The IUPAC name of 1-chlorobut-3-enyl-hydroxy-oxophosphanium (CID 57100888) is 1-chlorobut-3-enyl-hydroxy-oxophosphanium.
What is the SMILES notation for 1-chlorobut-3-enyl-hydroxy-oxophosphanium?
The canonical SMILES for 1-chlorobut-3-enyl-hydroxy-oxophosphanium is C=CCC(Cl)[P+](=O)O.
What is the InChIKey of 1-chlorobut-3-enyl-hydroxy-oxophosphanium?
The InChIKey is ABZZLMBPSAESHU-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H6ClO2P/c1-2-3-4(5)8(6)7/h2,4H,1,3H2/p+1.
What are the key properties of 1-chlorobut-3-enyl-hydroxy-oxophosphanium?
1-chlorobut-3-enyl-hydroxy-oxophosphanium has a molecular weight of 153.52 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorobut-3-enyl-hydroxy-oxophosphanium is sourced from PubChem (CID 57100888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).