4-chloro-2-hydroxy-5H-1,2λ5-oxaphosphole 2-oxide

C3H4ClO3P — CID 71386652

IUPAC4-chloro-2-hydroxy-5H-1,2λ5-oxaphosphole 2-oxide
SMILESO=P1(O)C=C(Cl)CO1
InChIInChI=1S/C3H4ClO3P/c4-3-1-7-8(5,6)2-3/h2H,1H2,(H,5,6)
InChIKeyZQENQHJOZGUMAY-UHFFFAOYSA-N
MW154.49 g/mol
LogP1.28
Rot. Bonds

About 4-chloro-2-hydroxy-5H-1,2λ5-oxaphosphole 2-oxide

4-chloro-2-hydroxy-5H-1,2λ5-oxaphosphole 2-oxide (PubChem CID 71386652) has the molecular formula C3H4ClO3P and a molecular weight of 154.49 g/mol. Its IUPAC name is 4-chloro-2-hydroxy-5H-1,2λ5-oxaphosphole 2-oxide.

Molecular Properties

Compound Name4-chloro-2-hydroxy-5H-1,2λ5-oxaphosphole 2-oxide
PubChem CID71386652
Molecular FormulaC3H4ClO3P
Molecular Weight154.49 g/mol
Exact Mass153.96
IUPAC Name4-chloro-2-hydroxy-5H-1,2λ5-oxaphosphole 2-oxide
SMILESO=P1(O)C=C(Cl)CO1
InChIInChI=1S/C3H4ClO3P/c4-3-1-7-8(5,6)2-3/h2H,1H2,(H,5,6)
InChIKeyZQENQHJOZGUMAY-UHFFFAOYSA-N
XLogP1.28
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.49
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-2-hydroxy-5H-1,2λ5-oxaphosphole 2-oxide?
The IUPAC name of 4-chloro-2-hydroxy-5H-1,2λ5-oxaphosphole 2-oxide (CID 71386652) is 4-chloro-2-hydroxy-5H-1,2λ5-oxaphosphole 2-oxide.
What is the SMILES notation for 4-chloro-2-hydroxy-5H-1,2λ5-oxaphosphole 2-oxide?
The canonical SMILES for 4-chloro-2-hydroxy-5H-1,2λ5-oxaphosphole 2-oxide is O=P1(O)C=C(Cl)CO1.
What is the InChIKey of 4-chloro-2-hydroxy-5H-1,2λ5-oxaphosphole 2-oxide?
The InChIKey is ZQENQHJOZGUMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4ClO3P/c4-3-1-7-8(5,6)2-3/h2H,1H2,(H,5,6).
What are the key properties of 4-chloro-2-hydroxy-5H-1,2λ5-oxaphosphole 2-oxide?
4-chloro-2-hydroxy-5H-1,2λ5-oxaphosphole 2-oxide has a molecular weight of 154.49 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-hydroxy-5H-1,2λ5-oxaphosphole 2-oxide is sourced from PubChem (CID 71386652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).