3,5-dimethyl-2-(4-methylphenyl)sulfanylbenzene-1,4-diol

C15H16O2S — CID 102327582

IUPAC3,5-dimethyl-2-(4-methylphenyl)sulfanylbenzene-1,4-diol
SMILESCc1ccc(Sc2c(O)cc(C)c(O)c2C)cc1
InChIInChI=1S/C15H16O2S/c1-9-4-6-12(7-5-9)18-15-11(3)14(17)10(2)8-13(15)16/h4-8,16-17H,1-3H3
InChIKeyNRTSURHZEITXOH-UHFFFAOYSA-N
MW260.36 g/mol
LogP4.17
Rot. Bonds2

About 3,5-dimethyl-2-(4-methylphenyl)sulfanylbenzene-1,4-diol

3,5-dimethyl-2-(4-methylphenyl)sulfanylbenzene-1,4-diol (PubChem CID 102327582) has the molecular formula C15H16O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 3,5-dimethyl-2-(4-methylphenyl)sulfanylbenzene-1,4-diol.

Molecular Properties

Compound Name3,5-dimethyl-2-(4-methylphenyl)sulfanylbenzene-1,4-diol
PubChem CID102327582
Molecular FormulaC15H16O2S
Molecular Weight260.36 g/mol
Exact Mass260.09
IUPAC Name3,5-dimethyl-2-(4-methylphenyl)sulfanylbenzene-1,4-diol
SMILESCc1ccc(Sc2c(O)cc(C)c(O)c2C)cc1
InChIInChI=1S/C15H16O2S/c1-9-4-6-12(7-5-9)18-15-11(3)14(17)10(2)8-13(15)16/h4-8,16-17H,1-3H3
InChIKeyNRTSURHZEITXOH-UHFFFAOYSA-N
XLogP4.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(4-methylphenyl)sulfanylbenzene-1,4-diol?
The IUPAC name of 3,5-dimethyl-2-(4-methylphenyl)sulfanylbenzene-1,4-diol (CID 102327582) is 3,5-dimethyl-2-(4-methylphenyl)sulfanylbenzene-1,4-diol.
What is the SMILES notation for 3,5-dimethyl-2-(4-methylphenyl)sulfanylbenzene-1,4-diol?
The canonical SMILES for 3,5-dimethyl-2-(4-methylphenyl)sulfanylbenzene-1,4-diol is Cc1ccc(Sc2c(O)cc(C)c(O)c2C)cc1.
What is the InChIKey of 3,5-dimethyl-2-(4-methylphenyl)sulfanylbenzene-1,4-diol?
The InChIKey is NRTSURHZEITXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2S/c1-9-4-6-12(7-5-9)18-15-11(3)14(17)10(2)8-13(15)16/h4-8,16-17H,1-3H3.
What are the key properties of 3,5-dimethyl-2-(4-methylphenyl)sulfanylbenzene-1,4-diol?
3,5-dimethyl-2-(4-methylphenyl)sulfanylbenzene-1,4-diol has a molecular weight of 260.36 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(4-methylphenyl)sulfanylbenzene-1,4-diol is sourced from PubChem (CID 102327582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).