2,5-Dihydroxybenzoic acid;dihydrate

C₇H₁₀O₆ — CID 140769659

About 2,5-Dihydroxybenzoic acid;dihydrate

2,5-Dihydroxybenzoic acid;dihydrate (PubChem CID 140769659) has the molecular formula C₇H₁₀O₆ and a molecular weight of 190.15 g/mol. Its IUPAC name is 2,5-dihydroxybenzoic acid;dihydrate.

Molecular Properties

• Compound Name: 2,5-Dihydroxybenzoic acid;dihydrate
• PubChem CID: 140769659
• Molecular Formula: C₇H₁₀O₆
• Molecular Weight: 190.15 g/mol
• Exact Mass: 190.05
• IUPAC Name: 2,5-dihydroxybenzoic acid;dihydrate
• SMILES: O.O.O=C(O)c1cc(O)ccc1O
• InChI: InChI=1S/C7H6O4.2H2O/c8-4-1-2-6(9)5(3-4)7(10)11;;/h1-3,8-9H,(H,10,11);2*1H2
• InChIKey: RUCVYXVWXZKYIF-UHFFFAOYSA-N
• XLogP: -0.85
• TPSA: 140.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	190.15
LogP ≤ 5	-0.85
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,5-Dihydroxybenzoic acid;dihydrate?

The IUPAC name of 2,5-Dihydroxybenzoic acid;dihydrate (CID 140769659) is 2,5-dihydroxybenzoic acid;dihydrate.

What is the SMILES notation for 2,5-Dihydroxybenzoic acid;dihydrate?

The canonical SMILES for 2,5-Dihydroxybenzoic acid;dihydrate is O.O.O=C(O)c1cc(O)ccc1O.

What is the InChIKey of 2,5-Dihydroxybenzoic acid;dihydrate?

The InChIKey is RUCVYXVWXZKYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O4.2H2O/c8-4-1-2-6(9)5(3-4)7(10)11;;/h1-3,8-9H,(H,10,11);2*1H2.

What are the key properties of 2,5-Dihydroxybenzoic acid;dihydrate?

2,5-Dihydroxybenzoic acid;dihydrate has a molecular weight of 190.15 g/mol, XLogP of -0.85, 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;dihydrate is sourced from PubChem (CID 140769659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 140769659 — identifiers, structure, computed properties (public domain)

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