2,5-dihydroxybenzoic acid

C7H6O4 — CID 3469

IUPAC2,5-dihydroxybenzoic acid
SMILESO=C(O)c1cc(O)ccc1O
InChIInChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)
InChIKeyWXTMDXOMEHJXQO-UHFFFAOYSA-N
MW154.12 g/mol
LogP0.80
Rot. Bonds1

About 2,5-dihydroxybenzoic acid

2,5-dihydroxybenzoic acid (PubChem CID 3469) has the molecular formula C7H6O4 and a molecular weight of 154.12 g/mol. Its IUPAC name is 2,5-dihydroxybenzoic acid.

Molecular Properties

Compound Name2,5-dihydroxybenzoic acid
PubChem CID3469
Molecular FormulaC7H6O4
Molecular Weight154.12 g/mol
Exact Mass154.03
IUPAC Name2,5-dihydroxybenzoic acid
SMILESO=C(O)c1cc(O)ccc1O
InChIInChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)
InChIKeyWXTMDXOMEHJXQO-UHFFFAOYSA-N
XLogP0.80
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Salicylic Acid
CID 338
Methyl Salicylate
CID 4133
2,3-Dihydroxybenzoic Acid
CID 19
Homogentisic Acid
CID 780
Sodium Salicylate
CID 16760658
3-Hydroxybenzoic Acid
CID 7420
3-Methylsalicylic Acid
CID 6738
2,4-Dihydroxybenzoic Acid
CID 1491
Salicylate
CID 54675850
Naphthazarin
CID 10141
5-Methoxysalicylic Acid
CID 75787
2,6-Dihydroxybenzoic Acid
CID 9338

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxybenzoic acid?
The IUPAC name of 2,5-dihydroxybenzoic acid (CID 3469) is 2,5-dihydroxybenzoic acid.
What is the SMILES notation for 2,5-dihydroxybenzoic acid?
The canonical SMILES for 2,5-dihydroxybenzoic acid is O=C(O)c1cc(O)ccc1O.
What is the InChIKey of 2,5-dihydroxybenzoic acid?
The InChIKey is WXTMDXOMEHJXQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11).
What are the key properties of 2,5-dihydroxybenzoic acid?
2,5-dihydroxybenzoic acid has a molecular weight of 154.12 g/mol, XLogP of 0.80, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxybenzoic acid is sourced from PubChem (CID 3469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).