2-hydroperoxy-5-hydroxybenzoic acid

C7H6O5 — CID 19099205

IUPAC2-hydroperoxy-5-hydroxybenzoic acid
SMILESO=C(O)c1cc(O)ccc1OO
InChIInChI=1S/C7H6O5/c8-4-1-2-6(12-11)5(3-4)7(9)10/h1-3,8,11H,(H,9,10)
InChIKeyDAQGXVQBZJYNHB-UHFFFAOYSA-N
MW170.12 g/mol
LogP0.94
Rot. Bonds2

About 2-hydroperoxy-5-hydroxybenzoic acid

2-hydroperoxy-5-hydroxybenzoic acid (PubChem CID 19099205) has the molecular formula C7H6O5 and a molecular weight of 170.12 g/mol. Its IUPAC name is 2-hydroperoxy-5-hydroxybenzoic acid.

Molecular Properties

Compound Name2-hydroperoxy-5-hydroxybenzoic acid
PubChem CID19099205
Molecular FormulaC7H6O5
Molecular Weight170.12 g/mol
Exact Mass170.02
IUPAC Name2-hydroperoxy-5-hydroxybenzoic acid
SMILESO=C(O)c1cc(O)ccc1OO
InChIInChI=1S/C7H6O5/c8-4-1-2-6(12-11)5(3-4)7(9)10/h1-3,8,11H,(H,9,10)
InChIKeyDAQGXVQBZJYNHB-UHFFFAOYSA-N
XLogP0.94
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze 2-hydroperoxy-5-hydroxybenzoic 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

5-hydroxy-2-(2,4,6-trihydroxybenzoyl)oxybenzoic acid
CID 57113507
4-hydroxyphthalic acid;hydrate
CID 171991193
2,5-dihydroxybenzoic acid;dihydrate
CID 140769659
2,5-dihydroxybenzoic acid;methanol
CID 174970806
5-hydroxy-2-sulfanylbenzoic acid
CID 22056787
strontium;2,5-dihydroxybenzoic acid;hydride
CID 173389066
5-hydroxy-2-[(2-sulfanylidene-4H-imidazol-3-yl)oxy]benzoic acid
CID 87554265
2,4-dihydroxybenzoic acid
CID 1491
azanium 2-carboxy-4-hydroxyphenolate
CID 54715378
3,7-dihydroxynaphthalene-1-carboxylic acid
CID 23130130
5-hydroxy-2-iodosylbenzoic acid
CID 23357998
2-carboxy-4-hydroxybenzenediazonium
CID 86186589

Frequently Asked Questions

What is the IUPAC name of 2-hydroperoxy-5-hydroxybenzoic acid?
The IUPAC name of 2-hydroperoxy-5-hydroxybenzoic acid (CID 19099205) is 2-hydroperoxy-5-hydroxybenzoic acid.
What is the SMILES notation for 2-hydroperoxy-5-hydroxybenzoic acid?
The canonical SMILES for 2-hydroperoxy-5-hydroxybenzoic acid is O=C(O)c1cc(O)ccc1OO.
What is the InChIKey of 2-hydroperoxy-5-hydroxybenzoic acid?
The InChIKey is DAQGXVQBZJYNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O5/c8-4-1-2-6(12-11)5(3-4)7(9)10/h1-3,8,11H,(H,9,10).
What are the key properties of 2-hydroperoxy-5-hydroxybenzoic acid?
2-hydroperoxy-5-hydroxybenzoic acid has a molecular weight of 170.12 g/mol, XLogP of 0.94, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroperoxy-5-hydroxybenzoic acid is sourced from PubChem (CID 19099205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).