2-dihydroxyphosphanylterephthalic acid

C8H7O6P — CID 150017662

IUPAC2-dihydroxyphosphanylterephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)c(P(O)O)c1
InChIInChI=1S/C8H7O6P/c9-7(10)4-1-2-5(8(11)12)6(3-4)15(13)14/h1-3,13-14H,(H,9,10)(H,11,12)
InChIKeyNGXSYNOWPXZGNK-UHFFFAOYSA-N
MW230.11 g/mol
LogP0.00
Rot. Bonds3

About 2-dihydroxyphosphanylterephthalic acid

2-dihydroxyphosphanylterephthalic acid (PubChem CID 150017662) has the molecular formula C8H7O6P and a molecular weight of 230.11 g/mol. Its IUPAC name is 2-dihydroxyphosphanylterephthalic acid.

Molecular Properties

Compound Name2-dihydroxyphosphanylterephthalic acid
PubChem CID150017662
Molecular FormulaC8H7O6P
Molecular Weight230.11 g/mol
Exact Mass230.00
IUPAC Name2-dihydroxyphosphanylterephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)c(P(O)O)c1
InChIInChI=1S/C8H7O6P/c9-7(10)4-1-2-5(8(11)12)6(3-4)15(13)14/h1-3,13-14H,(H,9,10)(H,11,12)
InChIKeyNGXSYNOWPXZGNK-UHFFFAOYSA-N
XLogP0.00
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 50.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-dihydroxyphosphanylterephthalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene-1,2,4-tricarboxylic acid;dihydrate
CID 70292833
tris(2-aminoterephthalic acid);iron
CID 146020005
benzene-1,2,4-tricarboxylic acid;bis(ethane-1,2-diol)
CID 19102454
2-bromoterephthalic acid;dihydrochloride
CID 175123722
4-hydroxybenzene-1,3-dicarboxylic acid
CID 161113247
2-(2-hydroxypropan-2-yl)terephthalic acid
CID 23192267
2-(dihydroxymethyl)terephthalic acid
CID 5246334
2-(chloromethyl)terephthalic acid
CID 90704685
carbonic acid;2-(2,5-dicarboxyphenyl)peroxyterephthalic acid
CID 88603711
oxophosphane;terephthalic acid
CID 175391404
4-hydroxybenzoic acid;2-hydroxyterephthalic acid
CID 174971569
2-ethenylterephthalic acid
CID 21087698

Frequently Asked Questions

What is the IUPAC name of 2-dihydroxyphosphanylterephthalic acid?
The IUPAC name of 2-dihydroxyphosphanylterephthalic acid (CID 150017662) is 2-dihydroxyphosphanylterephthalic acid.
What is the SMILES notation for 2-dihydroxyphosphanylterephthalic acid?
The canonical SMILES for 2-dihydroxyphosphanylterephthalic acid is O=C(O)c1ccc(C(=O)O)c(P(O)O)c1.
What is the InChIKey of 2-dihydroxyphosphanylterephthalic acid?
The InChIKey is NGXSYNOWPXZGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7O6P/c9-7(10)4-1-2-5(8(11)12)6(3-4)15(13)14/h1-3,13-14H,(H,9,10)(H,11,12).
What are the key properties of 2-dihydroxyphosphanylterephthalic acid?
2-dihydroxyphosphanylterephthalic acid has a molecular weight of 230.11 g/mol, XLogP of 0.00, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dihydroxyphosphanylterephthalic acid is sourced from PubChem (CID 150017662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).