[3-chlorooxy-2-(phenoxymethoxy)propyl] hypochlorite

C10H12Cl2O4 — CID 134881331

IUPAC[3-chlorooxy-2-(phenoxymethoxy)propyl] hypochlorite
SMILESClOCC(COCl)OCOc1ccccc1
InChIInChI=1S/C10H12Cl2O4/c11-15-6-10(7-16-12)14-8-13-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyMJESRJJMTGFNOZ-UHFFFAOYSA-N
MW267.11 g/mol
LogP2.75
Rot. Bonds8

About [3-chlorooxy-2-(phenoxymethoxy)propyl] hypochlorite

[3-chlorooxy-2-(phenoxymethoxy)propyl] hypochlorite (PubChem CID 134881331) has the molecular formula C10H12Cl2O4 and a molecular weight of 267.11 g/mol. Its IUPAC name is [3-chlorooxy-2-(phenoxymethoxy)propyl] hypochlorite.

Molecular Properties

Compound Name[3-chlorooxy-2-(phenoxymethoxy)propyl] hypochlorite
PubChem CID134881331
Molecular FormulaC10H12Cl2O4
Molecular Weight267.11 g/mol
Exact Mass266.01
IUPAC Name[3-chlorooxy-2-(phenoxymethoxy)propyl] hypochlorite
SMILESClOCC(COCl)OCOc1ccccc1
InChIInChI=1S/C10H12Cl2O4/c11-15-6-10(7-16-12)14-8-13-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChIKeyMJESRJJMTGFNOZ-UHFFFAOYSA-N
XLogP2.75
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.11
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-chlorooxy-2-(phenoxymethoxy)propyl] hypochlorite?
The IUPAC name of [3-chlorooxy-2-(phenoxymethoxy)propyl] hypochlorite (CID 134881331) is [3-chlorooxy-2-(phenoxymethoxy)propyl] hypochlorite.
What is the SMILES notation for [3-chlorooxy-2-(phenoxymethoxy)propyl] hypochlorite?
The canonical SMILES for [3-chlorooxy-2-(phenoxymethoxy)propyl] hypochlorite is ClOCC(COCl)OCOc1ccccc1.
What is the InChIKey of [3-chlorooxy-2-(phenoxymethoxy)propyl] hypochlorite?
The InChIKey is MJESRJJMTGFNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O4/c11-15-6-10(7-16-12)14-8-13-9-4-2-1-3-5-9/h1-5,10H,6-8H2.
What are the key properties of [3-chlorooxy-2-(phenoxymethoxy)propyl] hypochlorite?
[3-chlorooxy-2-(phenoxymethoxy)propyl] hypochlorite has a molecular weight of 267.11 g/mol, XLogP of 2.75, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chlorooxy-2-(phenoxymethoxy)propyl] hypochlorite is sourced from PubChem (CID 134881331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).