(2-hydroxy-3-phosphonophenyl)phosphonic acid

C6H8O7P2 — CID 13318949

IUPAC(2-hydroxy-3-phosphonophenyl)phosphonic acid
SMILESO=P(O)(O)c1cccc(P(=O)(O)O)c1O
InChIInChI=1S/C6H8O7P2/c7-6-4(14(8,9)10)2-1-3-5(6)15(11,12)13/h1-3,7H,(H2,8,9,10)(H2,11,12,13)
InChIKeyFGWHNSPVBLKLBF-UHFFFAOYSA-N
MW254.07 g/mol
LogP-1.00
Rot. Bonds2

About (2-hydroxy-3-phosphonophenyl)phosphonic acid

(2-hydroxy-3-phosphonophenyl)phosphonic acid (PubChem CID 13318949) has the molecular formula C6H8O7P2 and a molecular weight of 254.07 g/mol. Its IUPAC name is (2-hydroxy-3-phosphonophenyl)phosphonic acid.

Molecular Properties

Compound Name(2-hydroxy-3-phosphonophenyl)phosphonic acid
PubChem CID13318949
Molecular FormulaC6H8O7P2
Molecular Weight254.07 g/mol
Exact Mass253.97
IUPAC Name(2-hydroxy-3-phosphonophenyl)phosphonic acid
SMILESO=P(O)(O)c1cccc(P(=O)(O)O)c1O
InChIInChI=1S/C6H8O7P2/c7-6-4(14(8,9)10)2-1-3-5(6)15(11,12)13/h1-3,7H,(H2,8,9,10)(H2,11,12,13)
InChIKeyFGWHNSPVBLKLBF-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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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-3-phosphonophenyl)phosphonic acid?
The IUPAC name of (2-hydroxy-3-phosphonophenyl)phosphonic acid (CID 13318949) is (2-hydroxy-3-phosphonophenyl)phosphonic acid.
What is the SMILES notation for (2-hydroxy-3-phosphonophenyl)phosphonic acid?
The canonical SMILES for (2-hydroxy-3-phosphonophenyl)phosphonic acid is O=P(O)(O)c1cccc(P(=O)(O)O)c1O.
What is the InChIKey of (2-hydroxy-3-phosphonophenyl)phosphonic acid?
The InChIKey is FGWHNSPVBLKLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7P2/c7-6-4(14(8,9)10)2-1-3-5(6)15(11,12)13/h1-3,7H,(H2,8,9,10)(H2,11,12,13).
What are the key properties of (2-hydroxy-3-phosphonophenyl)phosphonic acid?
(2-hydroxy-3-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 (2-hydroxy-3-phosphonophenyl)phosphonic acid is sourced from PubChem (CID 13318949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).