2-(2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol

C14H14O2S — CID 520428

IUPAC2-(2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol
SMILESCc1ccc(O)c(Sc2cc(C)ccc2O)c1
InChIInChI=1S/C14H14O2S/c1-9-3-5-11(15)13(7-9)17-14-8-10(2)4-6-12(14)16/h3-8,15-16H,1-2H3
InChIKeyCHNWLKJYOVQXOG-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.87
Rot. Bonds2

About 2-(2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol

2-(2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol (PubChem CID 520428) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 2-(2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol.

Molecular Properties

Compound Name2-(2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol
PubChem CID520428
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name2-(2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol
SMILESCc1ccc(O)c(Sc2cc(C)ccc2O)c1
InChIInChI=1S/C14H14O2S/c1-9-3-5-11(15)13(7-9)17-14-8-10(2)4-6-12(14)16/h3-8,15-16H,1-2H3
InChIKeyCHNWLKJYOVQXOG-UHFFFAOYSA-N
XLogP3.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol?
The IUPAC name of 2-(2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol (CID 520428) is 2-(2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol.
What is the SMILES notation for 2-(2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol?
The canonical SMILES for 2-(2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol is Cc1ccc(O)c(Sc2cc(C)ccc2O)c1.
What is the InChIKey of 2-(2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol?
The InChIKey is CHNWLKJYOVQXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-9-3-5-11(15)13(7-9)17-14-8-10(2)4-6-12(14)16/h3-8,15-16H,1-2H3.
What are the key properties of 2-(2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol?
2-(2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol has a molecular weight of 246.33 g/mol, XLogP of 3.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol is sourced from PubChem (CID 520428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).