2-(3,4-dimethylphenyl)sulfonylbenzene-1,4-diol

C14H14O4S — CID 773181

IUPAC2-(3,4-dimethylphenyl)sulfonylbenzene-1,4-diol
SMILESCc1ccc(S(=O)(=O)c2cc(O)ccc2O)cc1C
InChIInChI=1S/C14H14O4S/c1-9-3-5-12(7-10(9)2)19(17,18)14-8-11(15)4-6-13(14)16/h3-8,15-16H,1-2H3
InChIKeyUZTGKQOXEBMFBI-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.55
Rot. Bonds2

About 2-(3,4-dimethylphenyl)sulfonylbenzene-1,4-diol

2-(3,4-dimethylphenyl)sulfonylbenzene-1,4-diol (PubChem CID 773181) has the molecular formula C14H14O4S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)sulfonylbenzene-1,4-diol.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)sulfonylbenzene-1,4-diol
PubChem CID773181
Molecular FormulaC14H14O4S
Molecular Weight278.33 g/mol
Exact Mass278.06
IUPAC Name2-(3,4-dimethylphenyl)sulfonylbenzene-1,4-diol
SMILESCc1ccc(S(=O)(=O)c2cc(O)ccc2O)cc1C
InChIInChI=1S/C14H14O4S/c1-9-3-5-12(7-10(9)2)19(17,18)14-8-11(15)4-6-13(14)16/h3-8,15-16H,1-2H3
InChIKeyUZTGKQOXEBMFBI-UHFFFAOYSA-N
XLogP2.55
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.55
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-(3,4-dimethylphenyl)sulfonylbenzene-1,4-diol?
The IUPAC name of 2-(3,4-dimethylphenyl)sulfonylbenzene-1,4-diol (CID 773181) is 2-(3,4-dimethylphenyl)sulfonylbenzene-1,4-diol.
What is the SMILES notation for 2-(3,4-dimethylphenyl)sulfonylbenzene-1,4-diol?
The canonical SMILES for 2-(3,4-dimethylphenyl)sulfonylbenzene-1,4-diol is Cc1ccc(S(=O)(=O)c2cc(O)ccc2O)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenyl)sulfonylbenzene-1,4-diol?
The InChIKey is UZTGKQOXEBMFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4S/c1-9-3-5-12(7-10(9)2)19(17,18)14-8-11(15)4-6-13(14)16/h3-8,15-16H,1-2H3.
What are the key properties of 2-(3,4-dimethylphenyl)sulfonylbenzene-1,4-diol?
2-(3,4-dimethylphenyl)sulfonylbenzene-1,4-diol has a molecular weight of 278.33 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)sulfonylbenzene-1,4-diol is sourced from PubChem (CID 773181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).