4-(4-hydroxy-2,5-dimethylphenyl)sulfanyl-2,5-dimethylphenol

C16H18O2S — CID 15800931

IUPAC4-(4-hydroxy-2,5-dimethylphenyl)sulfanyl-2,5-dimethylphenol
SMILESCc1cc(Sc2cc(C)c(O)cc2C)c(C)cc1O
InChIInChI=1S/C16H18O2S/c1-9-7-15(11(3)5-13(9)17)19-16-8-10(2)14(18)6-12(16)4/h5-8,17-18H,1-4H3
InChIKeyWMEUAJNEHZPXEQ-UHFFFAOYSA-N
MW274.39 g/mol
LogP4.48
Rot. Bonds2

About 4-(4-hydroxy-2,5-dimethylphenyl)sulfanyl-2,5-dimethylphenol

4-(4-hydroxy-2,5-dimethylphenyl)sulfanyl-2,5-dimethylphenol (PubChem CID 15800931) has the molecular formula C16H18O2S and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-(4-hydroxy-2,5-dimethylphenyl)sulfanyl-2,5-dimethylphenol.

Molecular Properties

Compound Name4-(4-hydroxy-2,5-dimethylphenyl)sulfanyl-2,5-dimethylphenol
PubChem CID15800931
Molecular FormulaC16H18O2S
Molecular Weight274.39 g/mol
Exact Mass274.10
IUPAC Name4-(4-hydroxy-2,5-dimethylphenyl)sulfanyl-2,5-dimethylphenol
SMILESCc1cc(Sc2cc(C)c(O)cc2C)c(C)cc1O
InChIInChI=1S/C16H18O2S/c1-9-7-15(11(3)5-13(9)17)19-16-8-10(2)14(18)6-12(16)4/h5-8,17-18H,1-4H3
InChIKeyWMEUAJNEHZPXEQ-UHFFFAOYSA-N
XLogP4.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-2,5-dimethylphenyl)sulfanyl-2,5-dimethylphenol?
The IUPAC name of 4-(4-hydroxy-2,5-dimethylphenyl)sulfanyl-2,5-dimethylphenol (CID 15800931) is 4-(4-hydroxy-2,5-dimethylphenyl)sulfanyl-2,5-dimethylphenol.
What is the SMILES notation for 4-(4-hydroxy-2,5-dimethylphenyl)sulfanyl-2,5-dimethylphenol?
The canonical SMILES for 4-(4-hydroxy-2,5-dimethylphenyl)sulfanyl-2,5-dimethylphenol is Cc1cc(Sc2cc(C)c(O)cc2C)c(C)cc1O.
What is the InChIKey of 4-(4-hydroxy-2,5-dimethylphenyl)sulfanyl-2,5-dimethylphenol?
The InChIKey is WMEUAJNEHZPXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2S/c1-9-7-15(11(3)5-13(9)17)19-16-8-10(2)14(18)6-12(16)4/h5-8,17-18H,1-4H3.
What are the key properties of 4-(4-hydroxy-2,5-dimethylphenyl)sulfanyl-2,5-dimethylphenol?
4-(4-hydroxy-2,5-dimethylphenyl)sulfanyl-2,5-dimethylphenol has a molecular weight of 274.39 g/mol, XLogP of 4.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-2,5-dimethylphenyl)sulfanyl-2,5-dimethylphenol is sourced from PubChem (CID 15800931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).