(4-chlorophenoxy)-ethylperoxy-hydroxy-sulfanylidene-λ5-phosphane

C8H10ClO4PS — CID 172842518

IUPAC(4-chlorophenoxy)-ethylperoxy-hydroxy-sulfanylidene-λ5-phosphane
SMILESCCOOP(O)(=S)Oc1ccc(Cl)cc1
InChIInChI=1S/C8H10ClO4PS/c1-2-11-13-14(10,15)12-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3,(H,10,15)
InChIKeyWZFXIWCKAODGSQ-UHFFFAOYSA-N
MW268.66 g/mol
LogP2.90
Rot. Bonds5

About (4-chlorophenoxy)-ethylperoxy-hydroxy-sulfanylidene-λ5-phosphane

(4-chlorophenoxy)-ethylperoxy-hydroxy-sulfanylidene-λ5-phosphane (PubChem CID 172842518) has the molecular formula C8H10ClO4PS and a molecular weight of 268.66 g/mol. Its IUPAC name is (4-chlorophenoxy)-ethylperoxy-hydroxy-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name(4-chlorophenoxy)-ethylperoxy-hydroxy-sulfanylidene-λ5-phosphane
PubChem CID172842518
Molecular FormulaC8H10ClO4PS
Molecular Weight268.66 g/mol
Exact Mass267.97
IUPAC Name(4-chlorophenoxy)-ethylperoxy-hydroxy-sulfanylidene-λ5-phosphane
SMILESCCOOP(O)(=S)Oc1ccc(Cl)cc1
InChIInChI=1S/C8H10ClO4PS/c1-2-11-13-14(10,15)12-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3,(H,10,15)
InChIKeyWZFXIWCKAODGSQ-UHFFFAOYSA-N
XLogP2.90
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.66
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenoxy)-ethylperoxy-hydroxy-sulfanylidene-λ5-phosphane?
The IUPAC name of (4-chlorophenoxy)-ethylperoxy-hydroxy-sulfanylidene-λ5-phosphane (CID 172842518) is (4-chlorophenoxy)-ethylperoxy-hydroxy-sulfanylidene-λ5-phosphane.
What is the SMILES notation for (4-chlorophenoxy)-ethylperoxy-hydroxy-sulfanylidene-λ5-phosphane?
The canonical SMILES for (4-chlorophenoxy)-ethylperoxy-hydroxy-sulfanylidene-λ5-phosphane is CCOOP(O)(=S)Oc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenoxy)-ethylperoxy-hydroxy-sulfanylidene-λ5-phosphane?
The InChIKey is WZFXIWCKAODGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClO4PS/c1-2-11-13-14(10,15)12-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3,(H,10,15).
What are the key properties of (4-chlorophenoxy)-ethylperoxy-hydroxy-sulfanylidene-λ5-phosphane?
(4-chlorophenoxy)-ethylperoxy-hydroxy-sulfanylidene-λ5-phosphane has a molecular weight of 268.66 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenoxy)-ethylperoxy-hydroxy-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 172842518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).