(4-phenyldiazenylphenyl) dihydrogen phosphate

C12H11N2O4P — CID 21275212

IUPAC(4-phenyldiazenylphenyl) dihydrogen phosphate
SMILESO=P(O)(O)Oc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C12H11N2O4P/c15-19(16,17)18-12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9H,(H2,15,16,17)/b14-13+
InChIKeyDUIVHJUWKBGEAZ-BUHFOSPRSA-N
MW278.20 g/mol
LogP3.57
Rot. Bonds4

About (4-phenyldiazenylphenyl) dihydrogen phosphate

(4-phenyldiazenylphenyl) dihydrogen phosphate (PubChem CID 21275212) has the molecular formula C12H11N2O4P and a molecular weight of 278.20 g/mol. Its IUPAC name is (4-phenyldiazenylphenyl) dihydrogen phosphate.

Molecular Properties

Compound Name(4-phenyldiazenylphenyl) dihydrogen phosphate
PubChem CID21275212
Molecular FormulaC12H11N2O4P
Molecular Weight278.20 g/mol
Exact Mass278.05
IUPAC Name(4-phenyldiazenylphenyl) dihydrogen phosphate
SMILESO=P(O)(O)Oc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C12H11N2O4P/c15-19(16,17)18-12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9H,(H2,15,16,17)/b14-13+
InChIKeyDUIVHJUWKBGEAZ-BUHFOSPRSA-N
XLogP3.57
TPSA91.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.20
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

phenyl-[4-[phenyl-(4-phenyldiazenylphenoxy)phosphoryl]oxyphenyl]diazene
CID 155046277
CID 131875092
CID 131875092
(4-phenylphenyl) dihydrogen phosphate;hydrate
CID 174536895
[4-[1,2-diphenyl-2-(4-phosphonooxyphenyl)ethenyl]phenyl] dihydrogen phosphate
CID 155895268
phenyl dihydrogen phosphate;2-phosphonoethylphosphonic acid
CID 158952926
(4-tritylphenyl) dihydrogen phosphate
CID 154267652
sodium;hydride;(4-isothiocyanatophenyl) dihydrogen phosphate
CID 173115689
(4-methylphenyl) dihydrogen phosphate;1,2-xylene
CID 175436066
bis(4-phenyldiazenylphenyl) sulfate
CID 174735060
2-aminophenol;phenyl dihydrogen phosphate
CID 158038709
phenyl bis(phenyldiazenyl) phosphate
CID 175035628
cesium phenyl hydrogen phosphate
CID 175568082

Frequently Asked Questions

What is the IUPAC name of (4-phenyldiazenylphenyl) dihydrogen phosphate?
The IUPAC name of (4-phenyldiazenylphenyl) dihydrogen phosphate (CID 21275212) is (4-phenyldiazenylphenyl) dihydrogen phosphate.
What is the SMILES notation for (4-phenyldiazenylphenyl) dihydrogen phosphate?
The canonical SMILES for (4-phenyldiazenylphenyl) dihydrogen phosphate is O=P(O)(O)Oc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of (4-phenyldiazenylphenyl) dihydrogen phosphate?
The InChIKey is DUIVHJUWKBGEAZ-BUHFOSPRSA-N. The full InChI is InChI=1S/C12H11N2O4P/c15-19(16,17)18-12-8-6-11(7-9-12)14-13-10-4-2-1-3-5-10/h1-9H,(H2,15,16,17)/b14-13+.
What are the key properties of (4-phenyldiazenylphenyl) dihydrogen phosphate?
(4-phenyldiazenylphenyl) dihydrogen phosphate has a molecular weight of 278.20 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyldiazenylphenyl) dihydrogen phosphate is sourced from PubChem (CID 21275212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).