(3-hydroxy-5-phosphonophenyl)phosphonic acid

C6H8O7P2 — CID 141049038

IUPAC(3-hydroxy-5-phosphonophenyl)phosphonic acid
SMILESO=P(O)(O)c1cc(O)cc(P(=O)(O)O)c1
InChIInChI=1S/C6H8O7P2/c7-4-1-5(14(8,9)10)3-6(2-4)15(11,12)13/h1-3,7H,(H2,8,9,10)(H2,11,12,13)
InChIKeyZEDKKEKRJBONLX-UHFFFAOYSA-N
MW254.07 g/mol
LogP-1.00
Rot. Bonds2

About (3-hydroxy-5-phosphonophenyl)phosphonic acid

(3-hydroxy-5-phosphonophenyl)phosphonic acid (PubChem CID 141049038) has the molecular formula C6H8O7P2 and a molecular weight of 254.07 g/mol. Its IUPAC name is (3-hydroxy-5-phosphonophenyl)phosphonic acid.

Molecular Properties

Compound Name(3-hydroxy-5-phosphonophenyl)phosphonic acid
PubChem CID141049038
Molecular FormulaC6H8O7P2
Molecular Weight254.07 g/mol
Exact Mass253.97
IUPAC Name(3-hydroxy-5-phosphonophenyl)phosphonic acid
SMILESO=P(O)(O)c1cc(O)cc(P(=O)(O)O)c1
InChIInChI=1S/C6H8O7P2/c7-4-1-5(14(8,9)10)3-6(2-4)15(11,12)13/h1-3,7H,(H2,8,9,10)(H2,11,12,13)
InChIKeyZEDKKEKRJBONLX-UHFFFAOYSA-N
XLogP-1.00
TPSA135.29 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.07
LogP ≤ 5-1.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-hydroxy-3,5-dimethylphenyl)phosphonic acid
CID 70930655
[3-(carbamothioylamino)-5-phosphonophenyl]phosphonic acid
CID 87591254
benzene-1,4-diol;phosphoric acid
CID 87092335
(2,4,5-triphosphonophenyl)phosphonic acid
CID 59806858
benzene-1,3,5-triol
CID 359
3-amino-5-phosphonobenzoic acid
CID 129396630
benzene-1,3-diol;phosphoric acid
CID 66603395
phenylphosphonic acid;terbium
CID 175289814
benzene-1,3-diol;phosphoric acid
CID 87069465
CID 66766975
CID 66766975
phenylphosphonic acid;phosphane
CID 157219344
[(3,5-dihydroxyphenoxy)-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 87631179

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-5-phosphonophenyl)phosphonic acid?
The IUPAC name of (3-hydroxy-5-phosphonophenyl)phosphonic acid (CID 141049038) is (3-hydroxy-5-phosphonophenyl)phosphonic acid.
What is the SMILES notation for (3-hydroxy-5-phosphonophenyl)phosphonic acid?
The canonical SMILES for (3-hydroxy-5-phosphonophenyl)phosphonic acid is O=P(O)(O)c1cc(O)cc(P(=O)(O)O)c1.
What is the InChIKey of (3-hydroxy-5-phosphonophenyl)phosphonic acid?
The InChIKey is ZEDKKEKRJBONLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7P2/c7-4-1-5(14(8,9)10)3-6(2-4)15(11,12)13/h1-3,7H,(H2,8,9,10)(H2,11,12,13).
What are the key properties of (3-hydroxy-5-phosphonophenyl)phosphonic acid?
(3-hydroxy-5-phosphonophenyl)phosphonic acid has a molecular weight of 254.07 g/mol, XLogP of -1.00, 2 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-5-phosphonophenyl)phosphonic acid is sourced from PubChem (CID 141049038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).