2,5-dihydroxy-4-methylbenzenesulfonic acid

C7H8O5S — CID 18724887

IUPAC2,5-dihydroxy-4-methylbenzenesulfonic acid
SMILESCc1cc(O)c(S(=O)(=O)O)cc1O
InChIInChI=1S/C7H8O5S/c1-4-2-6(9)7(3-5(4)8)13(10,11)12/h2-3,8-9H,1H3,(H,10,11,12)
InChIKeyYRRBAIGAKMHMAY-UHFFFAOYSA-N
MW204.20 g/mol
LogP0.65
Rot. Bonds1

About 2,5-dihydroxy-4-methylbenzenesulfonic acid

2,5-dihydroxy-4-methylbenzenesulfonic acid (PubChem CID 18724887) has the molecular formula C7H8O5S and a molecular weight of 204.20 g/mol. Its IUPAC name is 2,5-dihydroxy-4-methylbenzenesulfonic acid.

Molecular Properties

Compound Name2,5-dihydroxy-4-methylbenzenesulfonic acid
PubChem CID18724887
Molecular FormulaC7H8O5S
Molecular Weight204.20 g/mol
Exact Mass204.01
IUPAC Name2,5-dihydroxy-4-methylbenzenesulfonic acid
SMILESCc1cc(O)c(S(=O)(=O)O)cc1O
InChIInChI=1S/C7H8O5S/c1-4-2-6(9)7(3-5(4)8)13(10,11)12/h2-3,8-9H,1H3,(H,10,11,12)
InChIKeyYRRBAIGAKMHMAY-UHFFFAOYSA-N
XLogP0.65
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

azane;4-hydroxy-6-methylbenzene-1,3-disulfonic acid
CID 146681212
CID 173398336
CID 173398336
2-methyl-5-methylsulfonylbenzene-1,4-diol
CID 10867377
potassium;2,5-dihydroxybenzene-1,4-disulfonic acid;hydride
CID 173216903
4-hydroxy-6-methoxybenzene-1,3-disulfonic acid
CID 14197010
4-hydroxy-2-(5-hydroxy-4-methoxy-2-sulfophenoxy)-5-methylbenzenesulfonic acid
CID 89118207
2,5-dihydroxy-4-phenylbenzenesulfonic acid
CID 168873086
2,5-dihydroxybenzenesulfonic acid;4-methylbenzenesulfonic acid
CID 86745410
4-fluoro-2,5-dimethylphenol
CID 22627623
aluminum tris(5-hydroxy-2-methylbenzenesulfonic acid)
CID 119057750
sodium 5-hydroxy-2-methylbenzenesulfonic acid
CID 76871815
5-(1,3-diphenylbutyl)-2-hydroxy-4-methylbenzenesulfonic acid
CID 19033723

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-4-methylbenzenesulfonic acid?
The IUPAC name of 2,5-dihydroxy-4-methylbenzenesulfonic acid (CID 18724887) is 2,5-dihydroxy-4-methylbenzenesulfonic acid.
What is the SMILES notation for 2,5-dihydroxy-4-methylbenzenesulfonic acid?
The canonical SMILES for 2,5-dihydroxy-4-methylbenzenesulfonic acid is Cc1cc(O)c(S(=O)(=O)O)cc1O.
What is the InChIKey of 2,5-dihydroxy-4-methylbenzenesulfonic acid?
The InChIKey is YRRBAIGAKMHMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O5S/c1-4-2-6(9)7(3-5(4)8)13(10,11)12/h2-3,8-9H,1H3,(H,10,11,12).
What are the key properties of 2,5-dihydroxy-4-methylbenzenesulfonic acid?
2,5-dihydroxy-4-methylbenzenesulfonic acid has a molecular weight of 204.20 g/mol, XLogP of 0.65, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-4-methylbenzenesulfonic acid is sourced from PubChem (CID 18724887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).