bis(2-chloro-6-phenylphenyl) hydrogen phosphate

C24H17Cl2O4P — CID 154298081

IUPACbis(2-chloro-6-phenylphenyl) hydrogen phosphate
SMILESO=P(O)(Oc1c(Cl)cccc1-c1ccccc1)Oc1c(Cl)cccc1-c1ccccc1
InChIInChI=1S/C24H17Cl2O4P/c25-21-15-7-13-19(17-9-3-1-4-10-17)23(21)29-31(27,28)30-24-20(14-8-16-22(24)26)18-11-5-2-6-12-18/h1-16H,(H,27,28)
InChIKeyTZWYJEHVVSXJRY-UHFFFAOYSA-N
MW471.28 g/mol
LogP7.89
Rot. Bonds6

About bis(2-chloro-6-phenylphenyl) hydrogen phosphate

bis(2-chloro-6-phenylphenyl) hydrogen phosphate (PubChem CID 154298081) has the molecular formula C24H17Cl2O4P and a molecular weight of 471.28 g/mol. Its IUPAC name is bis(2-chloro-6-phenylphenyl) hydrogen phosphate.

Molecular Properties

Compound Namebis(2-chloro-6-phenylphenyl) hydrogen phosphate
PubChem CID154298081
Molecular FormulaC24H17Cl2O4P
Molecular Weight471.28 g/mol
Exact Mass470.02
IUPAC Namebis(2-chloro-6-phenylphenyl) hydrogen phosphate
SMILESO=P(O)(Oc1c(Cl)cccc1-c1ccccc1)Oc1c(Cl)cccc1-c1ccccc1
InChIInChI=1S/C24H17Cl2O4P/c25-21-15-7-13-19(17-9-3-1-4-10-17)23(21)29-31(27,28)30-24-20(14-8-16-22(24)26)18-11-5-2-6-12-18/h1-16H,(H,27,28)
InChIKeyTZWYJEHVVSXJRY-UHFFFAOYSA-N
XLogP7.89
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.28
LogP ≤ 57.89
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(2-chloro-6-phenylphenyl) hydrogen phosphate?
The IUPAC name of bis(2-chloro-6-phenylphenyl) hydrogen phosphate (CID 154298081) is bis(2-chloro-6-phenylphenyl) hydrogen phosphate.
What is the SMILES notation for bis(2-chloro-6-phenylphenyl) hydrogen phosphate?
The canonical SMILES for bis(2-chloro-6-phenylphenyl) hydrogen phosphate is O=P(O)(Oc1c(Cl)cccc1-c1ccccc1)Oc1c(Cl)cccc1-c1ccccc1.
What is the InChIKey of bis(2-chloro-6-phenylphenyl) hydrogen phosphate?
The InChIKey is TZWYJEHVVSXJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2O4P/c25-21-15-7-13-19(17-9-3-1-4-10-17)23(21)29-31(27,28)30-24-20(14-8-16-22(24)26)18-11-5-2-6-12-18/h1-16H,(H,27,28).
What are the key properties of bis(2-chloro-6-phenylphenyl) hydrogen phosphate?
bis(2-chloro-6-phenylphenyl) hydrogen phosphate has a molecular weight of 471.28 g/mol, XLogP of 7.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-chloro-6-phenylphenyl) hydrogen phosphate is sourced from PubChem (CID 154298081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).