2,5-dihydroxybenzoic acid;dihydrate

C7H10O6 — CID 140769659

IUPAC2,5-dihydroxybenzoic acid;dihydrate
SMILESO.O.O=C(O)c1cc(O)ccc1O
InChIInChI=1S/C7H6O4.2H2O/c8-4-1-2-6(9)5(3-4)7(10)11;;/h1-3,8-9H,(H,10,11);2*1H2
InChIKeyRUCVYXVWXZKYIF-UHFFFAOYSA-N
MW190.15 g/mol
LogP-0.85
Rot. Bonds1

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 Name2,5-dihydroxybenzoic acid;dihydrate
PubChem CID140769659
Molecular FormulaC7H10O6
Molecular Weight190.15 g/mol
Exact Mass190.05
IUPAC Name2,5-dihydroxybenzoic acid;dihydrate
SMILESO.O.O=C(O)c1cc(O)ccc1O
InChIInChI=1S/C7H6O4.2H2O/c8-4-1-2-6(9)5(3-4)7(10)11;;/h1-3,8-9H,(H,10,11);2*1H2
InChIKeyRUCVYXVWXZKYIF-UHFFFAOYSA-N
XLogP-0.85
TPSA140.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 5-0.85
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

2,5-dihydroxybenzoic acid;methanol
CID 174970806
strontium;2,5-dihydroxybenzoic acid;hydride
CID 173389066
4-hydroxyphthalic acid;hydrate
CID 171991193
5-[1-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid
CID 90286784
5-[(2,5-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 107721538
2,4-dihydroxybenzoic acid
CID 1491
4-hydroxybenzene-1,3-dicarboxylic acid
CID 161113247
5-[(2-chloro-5-hydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 106500152
5-[2-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid
CID 1347
N-(2,5-dihydroxybenzoyl)-2,5-dihydroxybenzamide
CID 91463347
lithium 2,5-dihydroxybenzoate
CID 55251260
5-hydroxy-2-sulfanylbenzoic acid
CID 22056787

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).