2,5-dihydroxybenzoic acid;methanol

C8H10O5 — CID 174970806

IUPAC2,5-dihydroxybenzoic acid;methanol
SMILESCO.O=C(O)c1cc(O)ccc1O
InChIInChI=1S/C7H6O4.CH4O/c8-4-1-2-6(9)5(3-4)7(10)11;1-2/h1-3,8-9H,(H,10,11);2H,1H3
InChIKeyOGLXCSLGKSCCRT-UHFFFAOYSA-N
MW186.16 g/mol
LogP0.40
Rot. Bonds1

About 2,5-dihydroxybenzoic acid;methanol

2,5-dihydroxybenzoic acid;methanol (PubChem CID 174970806) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is 2,5-dihydroxybenzoic acid;methanol.

Molecular Properties

Compound Name2,5-dihydroxybenzoic acid;methanol
PubChem CID174970806
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name2,5-dihydroxybenzoic acid;methanol
SMILESCO.O=C(O)c1cc(O)ccc1O
InChIInChI=1S/C7H6O4.CH4O/c8-4-1-2-6(9)5(3-4)7(10)11;1-2/h1-3,8-9H,(H,10,11);2H,1H3
InChIKeyOGLXCSLGKSCCRT-UHFFFAOYSA-N
XLogP0.40
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dihydroxybenzoic acid;dihydrate
CID 140769659
strontium;2,5-dihydroxybenzoic acid;hydride
CID 173389066
5-[1-(2,5-dihydroxyphenyl)ethenyl]-2-hydroxybenzoic acid
CID 90286784
5-amino-2-hydroxybenzoic acid;methanol
CID 143451983
5-[(2,5-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 107721538
2,4-dihydroxybenzoic acid
CID 1491
4-hydroxyphthalic acid;hydrate
CID 171991193
5-[1-(2,5-dihydroxyphenyl)ethyl]-2-hydroxybenzoic acid
CID 90285728
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

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxybenzoic acid;methanol?
The IUPAC name of 2,5-dihydroxybenzoic acid;methanol (CID 174970806) is 2,5-dihydroxybenzoic acid;methanol.
What is the SMILES notation for 2,5-dihydroxybenzoic acid;methanol?
The canonical SMILES for 2,5-dihydroxybenzoic acid;methanol is CO.O=C(O)c1cc(O)ccc1O.
What is the InChIKey of 2,5-dihydroxybenzoic acid;methanol?
The InChIKey is OGLXCSLGKSCCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O4.CH4O/c8-4-1-2-6(9)5(3-4)7(10)11;1-2/h1-3,8-9H,(H,10,11);2H,1H3.
What are the key properties of 2,5-dihydroxybenzoic acid;methanol?
2,5-dihydroxybenzoic acid;methanol has a molecular weight of 186.16 g/mol, XLogP of 0.40, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxybenzoic acid;methanol is sourced from PubChem (CID 174970806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).