[hydroxy-(4-hydroxyanilino)oxyphosphoryl]methylphosphonic acid

C7H11NO7P2 — CID 87619380

IUPAC[hydroxy-(4-hydroxyanilino)oxyphosphoryl]methylphosphonic acid
SMILESO=P(O)(O)CP(=O)(O)ONc1ccc(O)cc1
InChIInChI=1S/C7H11NO7P2/c9-7-3-1-6(2-4-7)8-15-17(13,14)5-16(10,11)12/h1-4,8-9H,5H2,(H,13,14)(H2,10,11,12)
InChIKeyPRYGSFPCQPBZAI-UHFFFAOYSA-N
MW283.11 g/mol
LogP1.06
Rot. Bonds5

About [hydroxy-(4-hydroxyanilino)oxyphosphoryl]methylphosphonic acid

[hydroxy-(4-hydroxyanilino)oxyphosphoryl]methylphosphonic acid (PubChem CID 87619380) has the molecular formula C7H11NO7P2 and a molecular weight of 283.11 g/mol. Its IUPAC name is [hydroxy-(4-hydroxyanilino)oxyphosphoryl]methylphosphonic acid.

Molecular Properties

Compound Name[hydroxy-(4-hydroxyanilino)oxyphosphoryl]methylphosphonic acid
PubChem CID87619380
Molecular FormulaC7H11NO7P2
Molecular Weight283.11 g/mol
Exact Mass283.00
IUPAC Name[hydroxy-(4-hydroxyanilino)oxyphosphoryl]methylphosphonic acid
SMILESO=P(O)(O)CP(=O)(O)ONc1ccc(O)cc1
InChIInChI=1S/C7H11NO7P2/c9-7-3-1-6(2-4-7)8-15-17(13,14)5-16(10,11)12/h1-4,8-9H,5H2,(H,13,14)(H2,10,11,12)
InChIKeyPRYGSFPCQPBZAI-UHFFFAOYSA-N
XLogP1.06
TPSA136.32 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 51.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

benzene-1,4-diol;phosphoric acid
CID 87092335
2-[hydroxy-(4-hydroxyphenoxy)phosphoryl]ethylphosphonic acid
CID 156695434
(4-hydroxyanilino) octadecanoate
CID 174614786
4-[bis(ethylamino)phosphorylamino]phenol
CID 57317861
4-(diphenylphosphorylamino)phenol
CID 21072103
2-[4-[2-(4-hydroxyanilino)-2-oxoethoxy]phenoxy]-N-(4-methylphenyl)acetamide
CID 71095079
2-(4-fluorophenoxy)-N-(4-hydroxyphenyl)acetamide
CID 9323790
4-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 13388921
N-hydroxy-2-(4-hydroxyphenoxy)acetamide
CID 130033325
propan-2-yl 2-(4-hydroxyanilino)acetate
CID 22630318
N-(4-hydroxyphenyl)-2-oxoacetamide
CID 22743962
4-[4-(sulfanylamino)phenoxy]phenol
CID 142074984

Frequently Asked Questions

What is the IUPAC name of [hydroxy-(4-hydroxyanilino)oxyphosphoryl]methylphosphonic acid?
The IUPAC name of [hydroxy-(4-hydroxyanilino)oxyphosphoryl]methylphosphonic acid (CID 87619380) is [hydroxy-(4-hydroxyanilino)oxyphosphoryl]methylphosphonic acid.
What is the SMILES notation for [hydroxy-(4-hydroxyanilino)oxyphosphoryl]methylphosphonic acid?
The canonical SMILES for [hydroxy-(4-hydroxyanilino)oxyphosphoryl]methylphosphonic acid is O=P(O)(O)CP(=O)(O)ONc1ccc(O)cc1.
What is the InChIKey of [hydroxy-(4-hydroxyanilino)oxyphosphoryl]methylphosphonic acid?
The InChIKey is PRYGSFPCQPBZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO7P2/c9-7-3-1-6(2-4-7)8-15-17(13,14)5-16(10,11)12/h1-4,8-9H,5H2,(H,13,14)(H2,10,11,12).
What are the key properties of [hydroxy-(4-hydroxyanilino)oxyphosphoryl]methylphosphonic acid?
[hydroxy-(4-hydroxyanilino)oxyphosphoryl]methylphosphonic acid has a molecular weight of 283.11 g/mol, XLogP of 1.06, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy-(4-hydroxyanilino)oxyphosphoryl]methylphosphonic acid is sourced from PubChem (CID 87619380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).