2,4-dichloro-1-[chloro(ethoxy)phosphoryl]oxybenzene

C8H8Cl3O3P — CID 13392474

IUPAC2,4-dichloro-1-[chloro(ethoxy)phosphoryl]oxybenzene
SMILESCCOP(=O)(Cl)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H8Cl3O3P/c1-2-13-15(11,12)14-8-4-3-6(9)5-7(8)10/h3-5H,2H2,1H3
InChIKeyOSVNMGNOQIPSIL-UHFFFAOYSA-N
MW289.48 g/mol
LogP4.76
Rot. Bonds4

About 2,4-dichloro-1-[chloro(ethoxy)phosphoryl]oxybenzene

2,4-dichloro-1-[chloro(ethoxy)phosphoryl]oxybenzene (PubChem CID 13392474) has the molecular formula C8H8Cl3O3P and a molecular weight of 289.48 g/mol. Its IUPAC name is 2,4-dichloro-1-[chloro(ethoxy)phosphoryl]oxybenzene.

Molecular Properties

Compound Name2,4-dichloro-1-[chloro(ethoxy)phosphoryl]oxybenzene
PubChem CID13392474
Molecular FormulaC8H8Cl3O3P
Molecular Weight289.48 g/mol
Exact Mass287.93
IUPAC Name2,4-dichloro-1-[chloro(ethoxy)phosphoryl]oxybenzene
SMILESCCOP(=O)(Cl)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C8H8Cl3O3P/c1-2-13-15(11,12)14-8-4-3-6(9)5-7(8)10/h3-5H,2H2,1H3
InChIKeyOSVNMGNOQIPSIL-UHFFFAOYSA-N
XLogP4.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.48
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[chloro(ethoxy)phosphoryl]oxybenzene?
The IUPAC name of 2,4-dichloro-1-[chloro(ethoxy)phosphoryl]oxybenzene (CID 13392474) is 2,4-dichloro-1-[chloro(ethoxy)phosphoryl]oxybenzene.
What is the SMILES notation for 2,4-dichloro-1-[chloro(ethoxy)phosphoryl]oxybenzene?
The canonical SMILES for 2,4-dichloro-1-[chloro(ethoxy)phosphoryl]oxybenzene is CCOP(=O)(Cl)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-[chloro(ethoxy)phosphoryl]oxybenzene?
The InChIKey is OSVNMGNOQIPSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl3O3P/c1-2-13-15(11,12)14-8-4-3-6(9)5-7(8)10/h3-5H,2H2,1H3.
What are the key properties of 2,4-dichloro-1-[chloro(ethoxy)phosphoryl]oxybenzene?
2,4-dichloro-1-[chloro(ethoxy)phosphoryl]oxybenzene has a molecular weight of 289.48 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-[chloro(ethoxy)phosphoryl]oxybenzene is sourced from PubChem (CID 13392474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).