dihydroxy(oxo)phosphanium;phthalic acid

C8H8O7P+ — CID 161362066

IUPACdihydroxy(oxo)phosphanium;phthalic acid
SMILESO=C(O)c1ccccc1C(=O)O.O=[P+](O)O
InChIInChI=1S/C8H6O4.HO3P/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-4(2)3/h1-4H,(H,9,10)(H,11,12);(H-,1,2,3)/p+1
InChIKeySCUIGQZZHUYMPF-UHFFFAOYSA-O
MW247.12 g/mol
LogP0.71
Rot. Bonds2

About dihydroxy(oxo)phosphanium;phthalic acid

dihydroxy(oxo)phosphanium;phthalic acid (PubChem CID 161362066) has the molecular formula C8H8O7P+ and a molecular weight of 247.12 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;phthalic acid.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;phthalic acid
PubChem CID161362066
Molecular FormulaC8H8O7P+
Molecular Weight247.12 g/mol
Exact Mass247.00
IUPAC Namedihydroxy(oxo)phosphanium;phthalic acid
SMILESO=C(O)c1ccccc1C(=O)O.O=[P+](O)O
InChIInChI=1S/C8H6O4.HO3P/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-4(2)3/h1-4H,(H,9,10)(H,11,12);(H-,1,2,3)/p+1
InChIKeySCUIGQZZHUYMPF-UHFFFAOYSA-O
XLogP0.71
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 50.71
H-Bond Donors ≤ 54
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 dihydroxy(oxo)phosphanium;phthalic acid?
The IUPAC name of dihydroxy(oxo)phosphanium;phthalic acid (CID 161362066) is dihydroxy(oxo)phosphanium;phthalic acid.
What is the SMILES notation for dihydroxy(oxo)phosphanium;phthalic acid?
The canonical SMILES for dihydroxy(oxo)phosphanium;phthalic acid is O=C(O)c1ccccc1C(=O)O.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;phthalic acid?
The InChIKey is SCUIGQZZHUYMPF-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H6O4.HO3P/c9-7(10)5-3-1-2-4-6(5)8(11)12;1-4(2)3/h1-4H,(H,9,10)(H,11,12);(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;phthalic acid?
dihydroxy(oxo)phosphanium;phthalic acid has a molecular weight of 247.12 g/mol, XLogP of 0.71, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;phthalic acid is sourced from PubChem (CID 161362066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).