(hydroxy-phenyl-phosphonomethyl)phosphonic acid

C7H10O7P2 — CID 12521025

IUPAC(hydroxy-phenyl-phosphonomethyl)phosphonic acid
SMILESO=P(O)(O)C(O)(c1ccccc1)P(=O)(O)O
InChIInChI=1S/C7H10O7P2/c8-7(15(9,10)11,16(12,13)14)6-4-2-1-3-5-6/h1-5,8H,(H2,9,10,11)(H2,12,13,14)
InChIKeyZCOMURCDMLBWOR-UHFFFAOYSA-N
MW268.10 g/mol
LogP0.14
Rot. Bonds3

About (hydroxy-phenyl-phosphonomethyl)phosphonic acid

(hydroxy-phenyl-phosphonomethyl)phosphonic acid (PubChem CID 12521025) has the molecular formula C7H10O7P2 and a molecular weight of 268.10 g/mol. Its IUPAC name is (hydroxy-phenyl-phosphonomethyl)phosphonic acid.

Molecular Properties

Compound Name(hydroxy-phenyl-phosphonomethyl)phosphonic acid
PubChem CID12521025
Molecular FormulaC7H10O7P2
Molecular Weight268.10 g/mol
Exact Mass267.99
IUPAC Name(hydroxy-phenyl-phosphonomethyl)phosphonic acid
SMILESO=P(O)(O)C(O)(c1ccccc1)P(=O)(O)O
InChIInChI=1S/C7H10O7P2/c8-7(15(9,10)11,16(12,13)14)6-4-2-1-3-5-6/h1-5,8H,(H2,9,10,11)(H2,12,13,14)
InChIKeyZCOMURCDMLBWOR-UHFFFAOYSA-N
XLogP0.14
TPSA135.29 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.10
LogP ≤ 50.14
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 (hydroxy-phenyl-phosphonomethyl)phosphonic acid?
The IUPAC name of (hydroxy-phenyl-phosphonomethyl)phosphonic acid (CID 12521025) is (hydroxy-phenyl-phosphonomethyl)phosphonic acid.
What is the SMILES notation for (hydroxy-phenyl-phosphonomethyl)phosphonic acid?
The canonical SMILES for (hydroxy-phenyl-phosphonomethyl)phosphonic acid is O=P(O)(O)C(O)(c1ccccc1)P(=O)(O)O.
What is the InChIKey of (hydroxy-phenyl-phosphonomethyl)phosphonic acid?
The InChIKey is ZCOMURCDMLBWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O7P2/c8-7(15(9,10)11,16(12,13)14)6-4-2-1-3-5-6/h1-5,8H,(H2,9,10,11)(H2,12,13,14).
What are the key properties of (hydroxy-phenyl-phosphonomethyl)phosphonic acid?
(hydroxy-phenyl-phosphonomethyl)phosphonic acid has a molecular weight of 268.10 g/mol, XLogP of 0.14, 3 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (hydroxy-phenyl-phosphonomethyl)phosphonic acid is sourced from PubChem (CID 12521025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).