bis(1,2-diphenylethyl) hydrogen phosphate

C28H27O4P — CID 175237263

IUPACbis(1,2-diphenylethyl) hydrogen phosphate
SMILESO=P(O)(OC(Cc1ccccc1)c1ccccc1)OC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C28H27O4P/c29-33(30,31-27(25-17-9-3-10-18-25)21-23-13-5-1-6-14-23)32-28(26-19-11-4-12-20-26)22-24-15-7-2-8-16-24/h1-20,27-28H,21-22H2,(H,29,30)
InChIKeyWOXXRGSRCLLIJF-UHFFFAOYSA-N
MW458.49 g/mol
LogP7.09
Rot. Bonds10

About bis(1,2-diphenylethyl) hydrogen phosphate

bis(1,2-diphenylethyl) hydrogen phosphate (PubChem CID 175237263) has the molecular formula C28H27O4P and a molecular weight of 458.49 g/mol. Its IUPAC name is bis(1,2-diphenylethyl) hydrogen phosphate.

Molecular Properties

Compound Namebis(1,2-diphenylethyl) hydrogen phosphate
PubChem CID175237263
Molecular FormulaC28H27O4P
Molecular Weight458.49 g/mol
Exact Mass458.16
IUPAC Namebis(1,2-diphenylethyl) hydrogen phosphate
SMILESO=P(O)(OC(Cc1ccccc1)c1ccccc1)OC(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C28H27O4P/c29-33(30,31-27(25-17-9-3-10-18-25)21-23-13-5-1-6-14-23)32-28(26-19-11-4-12-20-26)22-24-15-7-2-8-16-24/h1-20,27-28H,21-22H2,(H,29,30)
InChIKeyWOXXRGSRCLLIJF-UHFFFAOYSA-N
XLogP7.09
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.49
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1,2-diphenylethoxy(hydroxymethyl)phosphinic acid
CID 87705885
bis(1,2-diphenylethoxy)-oxophosphanium
CID 57192035
1,4-bis(1,2-diphenylethoxy)benzene
CID 67207918
1,2-diphenylethoxy hydrogen sulfate
CID 135012172
1,2-diphenylethoxy-[(4-nitrophenoxy)carbonyloxymethyl]phosphinic acid
CID 87705770
(5,5-dimethyl-4-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2,8,10-trien-10-yl) 1,2-diphenylethyl hydrogen phosphate
CID 66861896
[phenyl(phenylmethoxy)methyl] dihydrogen phosphate
CID 67285641
(1R)-1,2-diphenylethanol
CID 1379022
2-(1,2-diphenylethoxycarbonyl)-4-methylpentanoic acid
CID 70637765
[phenyl(phosphonooxy)methyl] dihydrogen phosphate
CID 141454803
(2R)-1-phenylpropan-2-amine;phosphoric acid
CID 76961595
1,2-diphenylethoxy(ethenyl)silane
CID 123377665

Frequently Asked Questions

What is the IUPAC name of bis(1,2-diphenylethyl) hydrogen phosphate?
The IUPAC name of bis(1,2-diphenylethyl) hydrogen phosphate (CID 175237263) is bis(1,2-diphenylethyl) hydrogen phosphate.
What is the SMILES notation for bis(1,2-diphenylethyl) hydrogen phosphate?
The canonical SMILES for bis(1,2-diphenylethyl) hydrogen phosphate is O=P(O)(OC(Cc1ccccc1)c1ccccc1)OC(Cc1ccccc1)c1ccccc1.
What is the InChIKey of bis(1,2-diphenylethyl) hydrogen phosphate?
The InChIKey is WOXXRGSRCLLIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27O4P/c29-33(30,31-27(25-17-9-3-10-18-25)21-23-13-5-1-6-14-23)32-28(26-19-11-4-12-20-26)22-24-15-7-2-8-16-24/h1-20,27-28H,21-22H2,(H,29,30).
What are the key properties of bis(1,2-diphenylethyl) hydrogen phosphate?
bis(1,2-diphenylethyl) hydrogen phosphate has a molecular weight of 458.49 g/mol, XLogP of 7.09, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2-diphenylethyl) hydrogen phosphate is sourced from PubChem (CID 175237263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).