bis(4-chlorophenyl) hydrogen phosphate

C12H9Cl2O4P — CID 582048

IUPACbis(4-chlorophenyl) hydrogen phosphate
SMILESO=P(O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C12H9Cl2O4P/c13-9-1-5-11(6-2-9)17-19(15,16)18-12-7-3-10(14)4-8-12/h1-8H,(H,15,16)
InChIKeyPLDCKYUUCIJIKY-UHFFFAOYSA-N
MW319.08 g/mol
LogP4.55
Rot. Bonds4

About bis(4-chlorophenyl) hydrogen phosphate

bis(4-chlorophenyl) hydrogen phosphate (PubChem CID 582048) has the molecular formula C12H9Cl2O4P and a molecular weight of 319.08 g/mol. Its IUPAC name is bis(4-chlorophenyl) hydrogen phosphate.

Molecular Properties

Compound Namebis(4-chlorophenyl) hydrogen phosphate
PubChem CID582048
Molecular FormulaC12H9Cl2O4P
Molecular Weight319.08 g/mol
Exact Mass317.96
IUPAC Namebis(4-chlorophenyl) hydrogen phosphate
SMILESO=P(O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1
InChIInChI=1S/C12H9Cl2O4P/c13-9-1-5-11(6-2-9)17-19(15,16)18-12-7-3-10(14)4-8-12/h1-8H,(H,15,16)
InChIKeyPLDCKYUUCIJIKY-UHFFFAOYSA-N
XLogP4.55
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.08
LogP ≤ 54.55
H-Bond Donors ≤ 51
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 bis(4-chlorophenyl) hydrogen phosphate?
The IUPAC name of bis(4-chlorophenyl) hydrogen phosphate (CID 582048) is bis(4-chlorophenyl) hydrogen phosphate.
What is the SMILES notation for bis(4-chlorophenyl) hydrogen phosphate?
The canonical SMILES for bis(4-chlorophenyl) hydrogen phosphate is O=P(O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1.
What is the InChIKey of bis(4-chlorophenyl) hydrogen phosphate?
The InChIKey is PLDCKYUUCIJIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2O4P/c13-9-1-5-11(6-2-9)17-19(15,16)18-12-7-3-10(14)4-8-12/h1-8H,(H,15,16).
What are the key properties of bis(4-chlorophenyl) hydrogen phosphate?
bis(4-chlorophenyl) hydrogen phosphate has a molecular weight of 319.08 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-chlorophenyl) hydrogen phosphate is sourced from PubChem (CID 582048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).