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

C18H11Cl4O3P — CID 3056461

IUPAC2,4-dichloro-1-[(2,4-dichlorophenoxy)-phenylphosphoryl]oxybenzene
SMILESO=P(Oc1ccc(Cl)cc1Cl)(Oc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C18H11Cl4O3P/c19-12-6-8-17(15(21)10-12)24-26(23,14-4-2-1-3-5-14)25-18-9-7-13(20)11-16(18)22/h1-11H
InChIKeyFFLIJNFPOARVJM-UHFFFAOYSA-N
MW448.07 g/mol
LogP7.28
Rot. Bonds5

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

2,4-dichloro-1-[(2,4-dichlorophenoxy)-phenylphosphoryl]oxybenzene (PubChem CID 3056461) has the molecular formula C18H11Cl4O3P and a molecular weight of 448.07 g/mol. Its IUPAC name is 2,4-dichloro-1-[(2,4-dichlorophenoxy)-phenylphosphoryl]oxybenzene.

Molecular Properties

Compound Name2,4-dichloro-1-[(2,4-dichlorophenoxy)-phenylphosphoryl]oxybenzene
PubChem CID3056461
Molecular FormulaC18H11Cl4O3P
Molecular Weight448.07 g/mol
Exact Mass445.92
IUPAC Name2,4-dichloro-1-[(2,4-dichlorophenoxy)-phenylphosphoryl]oxybenzene
SMILESO=P(Oc1ccc(Cl)cc1Cl)(Oc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C18H11Cl4O3P/c19-12-6-8-17(15(21)10-12)24-26(23,14-4-2-1-3-5-14)25-18-9-7-13(20)11-16(18)22/h1-11H
InChIKeyFFLIJNFPOARVJM-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'}

Analyze 2,4-dichloro-1-[(2,4-dichlorophenoxy)-phenylphosphoryl]oxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dichlofenthion
CID 7328
1-[Amino-(4-chlorophenoxy)phosphoryl]oxy-4-chlorobenzene
CID 1614034
Bis(4-chlorophenyl) hydrogen phosphate
CID 582048
Phosphonothioic acid, phenyl-, O-(2,4-dichlorophenyl) O-ethyl ester
CID 77416
Phosdiphen
CID 92304
Tris(2-chlorophenyl) borate
CID 21427
Phosphonothioic acid, methyl-, O-(2,4-dichlorophenyl) O-methyl ester
CID 165009
2,4-Dichlorophenyl diethyl phosphate
CID 201114
1-[Amino-(2-chlorophenoxy)phosphoryl]oxy-2-chlorobenzene
CID 2313173
Tris(4-chlorophenyl) phosphate
CID 77474
Tris(o-chlorophenyl) phosphate
CID 69428
Tris(2,6-dichlorophenyl) phosphate
CID 3826799

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-1-[(2,4-dichlorophenoxy)-phenylphosphoryl]oxybenzene?
The IUPAC name of 2,4-dichloro-1-[(2,4-dichlorophenoxy)-phenylphosphoryl]oxybenzene (CID 3056461) is 2,4-dichloro-1-[(2,4-dichlorophenoxy)-phenylphosphoryl]oxybenzene.
What is the SMILES notation for 2,4-dichloro-1-[(2,4-dichlorophenoxy)-phenylphosphoryl]oxybenzene?
The canonical SMILES for 2,4-dichloro-1-[(2,4-dichlorophenoxy)-phenylphosphoryl]oxybenzene is O=P(Oc1ccc(Cl)cc1Cl)(Oc1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of 2,4-dichloro-1-[(2,4-dichlorophenoxy)-phenylphosphoryl]oxybenzene?
The InChIKey is FFLIJNFPOARVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl4O3P/c19-12-6-8-17(15(21)10-12)24-26(23,14-4-2-1-3-5-14)25-18-9-7-13(20)11-16(18)22/h1-11H.
What are the key properties of 2,4-dichloro-1-[(2,4-dichlorophenoxy)-phenylphosphoryl]oxybenzene?
2,4-dichloro-1-[(2,4-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 2,4-dichloro-1-[(2,4-dichlorophenoxy)-phenylphosphoryl]oxybenzene is sourced from PubChem (CID 3056461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).