4-chloro-1-hydroxy-5-methyl-2H-1lambda5-phosphinine 1-oxide

C6H8ClO2P — CID 14117905

IUPAC4-chloro-1-hydroxy-5-methyl-2H-1lambda5-phosphinine 1-oxide
SMILESCC1=CP(=O)(O)CC=C1Cl
InChIInChI=1S/C6H8ClO2P/c1-5-4-10(8,9)3-2-6(5)7/h2,4H,3H2,1H3,(H,8,9)
InChIKeyHVQJCJMIWKUQEB-UHFFFAOYSA-N
MW178.55 g/mol
LogP2.30
Rot. Bonds

About 4-chloro-1-hydroxy-5-methyl-2H-1lambda5-phosphinine 1-oxide

4-chloro-1-hydroxy-5-methyl-2H-1lambda5-phosphinine 1-oxide (PubChem CID 14117905) has the molecular formula C6H8ClO2P and a molecular weight of 178.55 g/mol. Its IUPAC name is 4-chloro-1-hydroxy-5-methyl-2H-1lambda5-phosphinine 1-oxide.

Molecular Properties

Compound Name4-chloro-1-hydroxy-5-methyl-2H-1lambda5-phosphinine 1-oxide
PubChem CID14117905
Molecular FormulaC6H8ClO2P
Molecular Weight178.55 g/mol
Exact Mass178.00
IUPAC Name4-chloro-1-hydroxy-5-methyl-2H-1lambda5-phosphinine 1-oxide
SMILESCC1=CP(=O)(O)CC=C1Cl
InChIInChI=1S/C6H8ClO2P/c1-5-4-10(8,9)3-2-6(5)7/h2,4H,3H2,1H3,(H,8,9)
InChIKeyHVQJCJMIWKUQEB-UHFFFAOYSA-N
XLogP2.30
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.55
LogP ≤ 52.30
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 4-chloro-1-hydroxy-5-methyl-2H-1lambda5-phosphinine 1-oxide?
The IUPAC name of 4-chloro-1-hydroxy-5-methyl-2H-1lambda5-phosphinine 1-oxide (CID 14117905) is 4-chloro-1-hydroxy-5-methyl-2H-1lambda5-phosphinine 1-oxide.
What is the SMILES notation for 4-chloro-1-hydroxy-5-methyl-2H-1lambda5-phosphinine 1-oxide?
The canonical SMILES for 4-chloro-1-hydroxy-5-methyl-2H-1lambda5-phosphinine 1-oxide is CC1=CP(=O)(O)CC=C1Cl.
What is the InChIKey of 4-chloro-1-hydroxy-5-methyl-2H-1lambda5-phosphinine 1-oxide?
The InChIKey is HVQJCJMIWKUQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClO2P/c1-5-4-10(8,9)3-2-6(5)7/h2,4H,3H2,1H3,(H,8,9).
What are the key properties of 4-chloro-1-hydroxy-5-methyl-2H-1lambda5-phosphinine 1-oxide?
4-chloro-1-hydroxy-5-methyl-2H-1lambda5-phosphinine 1-oxide has a molecular weight of 178.55 g/mol, XLogP of 2.30, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-hydroxy-5-methyl-2H-1lambda5-phosphinine 1-oxide is sourced from PubChem (CID 14117905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).