2-(4-methylphenyl)sulfonylbenzene-1,4-diol

C13H12O4S — CID 621969

IUPAC2-(4-methylphenyl)sulfonylbenzene-1,4-diol
SMILESCc1ccc(S(=O)(=O)c2cc(O)ccc2O)cc1
InChIInChI=1S/C13H12O4S/c1-9-2-5-11(6-3-9)18(16,17)13-8-10(14)4-7-12(13)15/h2-8,14-15H,1H3
InChIKeyJDVLOEPBUIGUKP-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.24
Rot. Bonds2

About 2-(4-methylphenyl)sulfonylbenzene-1,4-diol

2-(4-methylphenyl)sulfonylbenzene-1,4-diol (PubChem CID 621969) has the molecular formula C13H12O4S and a molecular weight of 264.30 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfonylbenzene-1,4-diol.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfonylbenzene-1,4-diol
PubChem CID621969
Molecular FormulaC13H12O4S
Molecular Weight264.30 g/mol
Exact Mass264.05
IUPAC Name2-(4-methylphenyl)sulfonylbenzene-1,4-diol
SMILESCc1ccc(S(=O)(=O)c2cc(O)ccc2O)cc1
InChIInChI=1S/C13H12O4S/c1-9-2-5-11(6-3-9)18(16,17)13-8-10(14)4-7-12(13)15/h2-8,14-15H,1H3
InChIKeyJDVLOEPBUIGUKP-UHFFFAOYSA-N
XLogP2.24
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfonylbenzene-1,4-diol?
The IUPAC name of 2-(4-methylphenyl)sulfonylbenzene-1,4-diol (CID 621969) is 2-(4-methylphenyl)sulfonylbenzene-1,4-diol.
What is the SMILES notation for 2-(4-methylphenyl)sulfonylbenzene-1,4-diol?
The canonical SMILES for 2-(4-methylphenyl)sulfonylbenzene-1,4-diol is Cc1ccc(S(=O)(=O)c2cc(O)ccc2O)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfonylbenzene-1,4-diol?
The InChIKey is JDVLOEPBUIGUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4S/c1-9-2-5-11(6-3-9)18(16,17)13-8-10(14)4-7-12(13)15/h2-8,14-15H,1H3.
What are the key properties of 2-(4-methylphenyl)sulfonylbenzene-1,4-diol?
2-(4-methylphenyl)sulfonylbenzene-1,4-diol has a molecular weight of 264.30 g/mol, XLogP of 2.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfonylbenzene-1,4-diol is sourced from PubChem (CID 621969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).