2-(4-hydroxyphenyl)-4-methylsulfanylphenol

C13H12O2S — CID 54170592

IUPAC2-(4-hydroxyphenyl)-4-methylsulfanylphenol
SMILESCSc1ccc(O)c(-c2ccc(O)cc2)c1
InChIInChI=1S/C13H12O2S/c1-16-11-6-7-13(15)12(8-11)9-2-4-10(14)5-3-9/h2-8,14-15H,1H3
InChIKeyOUTCNTGQIFDXJW-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.49
Rot. Bonds2

About 2-(4-hydroxyphenyl)-4-methylsulfanylphenol

2-(4-hydroxyphenyl)-4-methylsulfanylphenol (PubChem CID 54170592) has the molecular formula C13H12O2S and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-4-methylsulfanylphenol.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-4-methylsulfanylphenol
PubChem CID54170592
Molecular FormulaC13H12O2S
Molecular Weight232.30 g/mol
Exact Mass232.06
IUPAC Name2-(4-hydroxyphenyl)-4-methylsulfanylphenol
SMILESCSc1ccc(O)c(-c2ccc(O)cc2)c1
InChIInChI=1S/C13H12O2S/c1-16-11-6-7-13(15)12(8-11)9-2-4-10(14)5-3-9/h2-8,14-15H,1H3
InChIKeyOUTCNTGQIFDXJW-UHFFFAOYSA-N
XLogP3.49
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-4-methylsulfanylphenol?
The IUPAC name of 2-(4-hydroxyphenyl)-4-methylsulfanylphenol (CID 54170592) is 2-(4-hydroxyphenyl)-4-methylsulfanylphenol.
What is the SMILES notation for 2-(4-hydroxyphenyl)-4-methylsulfanylphenol?
The canonical SMILES for 2-(4-hydroxyphenyl)-4-methylsulfanylphenol is CSc1ccc(O)c(-c2ccc(O)cc2)c1.
What is the InChIKey of 2-(4-hydroxyphenyl)-4-methylsulfanylphenol?
The InChIKey is OUTCNTGQIFDXJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2S/c1-16-11-6-7-13(15)12(8-11)9-2-4-10(14)5-3-9/h2-8,14-15H,1H3.
What are the key properties of 2-(4-hydroxyphenyl)-4-methylsulfanylphenol?
2-(4-hydroxyphenyl)-4-methylsulfanylphenol has a molecular weight of 232.30 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-4-methylsulfanylphenol is sourced from PubChem (CID 54170592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).