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

C12H6Cl5O3P — CID 5012072

IUPAC2,4-dichloro-1-[chloro-(2,4-dichlorophenoxy)phosphoryl]oxybenzene
SMILESO=P(Cl)(Oc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H6Cl5O3P/c13-7-1-3-11(9(15)5-7)19-21(17,18)20-12-4-2-8(14)6-10(12)16/h1-6H
InChIKeyRHQSBXZVIMBYKW-UHFFFAOYSA-N
MW406.42 g/mol
LogP7.10
Rot. Bonds4

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

2,4-dichloro-1-[chloro-(2,4-dichlorophenoxy)phosphoryl]oxybenzene (PubChem CID 5012072) has the molecular formula C12H6Cl5O3P and a molecular weight of 406.42 g/mol. Its IUPAC name is 2,4-dichloro-1-[chloro-(2,4-dichlorophenoxy)phosphoryl]oxybenzene.

Molecular Properties

Compound Name2,4-dichloro-1-[chloro-(2,4-dichlorophenoxy)phosphoryl]oxybenzene
PubChem CID5012072
Molecular FormulaC12H6Cl5O3P
Molecular Weight406.42 g/mol
Exact Mass403.85
IUPAC Name2,4-dichloro-1-[chloro-(2,4-dichlorophenoxy)phosphoryl]oxybenzene
SMILESO=P(Cl)(Oc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C12H6Cl5O3P/c13-7-1-3-11(9(15)5-7)19-21(17,18)20-12-4-2-8(14)6-10(12)16/h1-6H
InChIKeyRHQSBXZVIMBYKW-UHFFFAOYSA-N
XLogP7.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.42
LogP ≤ 57.10
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-(2,4-dichlorophenoxy)phosphoryl]oxybenzene?
The IUPAC name of 2,4-dichloro-1-[chloro-(2,4-dichlorophenoxy)phosphoryl]oxybenzene (CID 5012072) is 2,4-dichloro-1-[chloro-(2,4-dichlorophenoxy)phosphoryl]oxybenzene.
What is the SMILES notation for 2,4-dichloro-1-[chloro-(2,4-dichlorophenoxy)phosphoryl]oxybenzene?
The canonical SMILES for 2,4-dichloro-1-[chloro-(2,4-dichlorophenoxy)phosphoryl]oxybenzene is O=P(Cl)(Oc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-[chloro-(2,4-dichlorophenoxy)phosphoryl]oxybenzene?
The InChIKey is RHQSBXZVIMBYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl5O3P/c13-7-1-3-11(9(15)5-7)19-21(17,18)20-12-4-2-8(14)6-10(12)16/h1-6H.
What are the key properties of 2,4-dichloro-1-[chloro-(2,4-dichlorophenoxy)phosphoryl]oxybenzene?
2,4-dichloro-1-[chloro-(2,4-dichlorophenoxy)phosphoryl]oxybenzene has a molecular weight of 406.42 g/mol, XLogP of 7.10, 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-(2,4-dichlorophenoxy)phosphoryl]oxybenzene is sourced from PubChem (CID 5012072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).