1,4-dichloro-2-[(2,5-dichlorophenoxy)-phenylphosphoryl]oxybenzene

C18H11Cl4O3P — CID 3054573

IUPAC1,4-dichloro-2-[(2,5-dichlorophenoxy)-phenylphosphoryl]oxybenzene
SMILESO=P(Oc1cc(Cl)ccc1Cl)(Oc1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C18H11Cl4O3P/c19-12-6-8-15(21)17(10-12)24-26(23,14-4-2-1-3-5-14)25-18-11-13(20)7-9-16(18)22/h1-11H
InChIKeyBDAAZPUZNNPZMH-UHFFFAOYSA-N
MW448.07 g/mol
LogP7.28
Rot. Bonds5

About 1,4-dichloro-2-[(2,5-dichlorophenoxy)-phenylphosphoryl]oxybenzene

1,4-dichloro-2-[(2,5-dichlorophenoxy)-phenylphosphoryl]oxybenzene (PubChem CID 3054573) has the molecular formula C18H11Cl4O3P and a molecular weight of 448.07 g/mol. Its IUPAC name is 1,4-dichloro-2-[(2,5-dichlorophenoxy)-phenylphosphoryl]oxybenzene.

Molecular Properties

Compound Name1,4-dichloro-2-[(2,5-dichlorophenoxy)-phenylphosphoryl]oxybenzene
PubChem CID3054573
Molecular FormulaC18H11Cl4O3P
Molecular Weight448.07 g/mol
Exact Mass445.92
IUPAC Name1,4-dichloro-2-[(2,5-dichlorophenoxy)-phenylphosphoryl]oxybenzene
SMILESO=P(Oc1cc(Cl)ccc1Cl)(Oc1cc(Cl)ccc1Cl)c1ccccc1
InChIInChI=1S/C18H11Cl4O3P/c19-12-6-8-15(21)17(10-12)24-26(23,14-4-2-1-3-5-14)25-18-11-13(20)7-9-16(18)22/h1-11H
InChIKeyBDAAZPUZNNPZMH-UHFFFAOYSA-N
XLogP7.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.07
LogP ≤ 57.28
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 1,4-dichloro-2-[(2,5-dichlorophenoxy)-phenylphosphoryl]oxybenzene?
The IUPAC name of 1,4-dichloro-2-[(2,5-dichlorophenoxy)-phenylphosphoryl]oxybenzene (CID 3054573) is 1,4-dichloro-2-[(2,5-dichlorophenoxy)-phenylphosphoryl]oxybenzene.
What is the SMILES notation for 1,4-dichloro-2-[(2,5-dichlorophenoxy)-phenylphosphoryl]oxybenzene?
The canonical SMILES for 1,4-dichloro-2-[(2,5-dichlorophenoxy)-phenylphosphoryl]oxybenzene is O=P(Oc1cc(Cl)ccc1Cl)(Oc1cc(Cl)ccc1Cl)c1ccccc1.
What is the InChIKey of 1,4-dichloro-2-[(2,5-dichlorophenoxy)-phenylphosphoryl]oxybenzene?
The InChIKey is BDAAZPUZNNPZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl4O3P/c19-12-6-8-15(21)17(10-12)24-26(23,14-4-2-1-3-5-14)25-18-11-13(20)7-9-16(18)22/h1-11H.
What are the key properties of 1,4-dichloro-2-[(2,5-dichlorophenoxy)-phenylphosphoryl]oxybenzene?
1,4-dichloro-2-[(2,5-dichlorophenoxy)-phenylphosphoryl]oxybenzene has a molecular weight of 448.07 g/mol, XLogP of 7.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-[(2,5-dichlorophenoxy)-phenylphosphoryl]oxybenzene is sourced from PubChem (CID 3054573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).