4-(4-hydroxy-2-methylphenyl)sulfanyl-3-methylphenol

C14H14O2S — CID 674719

IUPAC4-(4-hydroxy-2-methylphenyl)sulfanyl-3-methylphenol
SMILESCc1cc(O)ccc1Sc1ccc(O)cc1C
InChIInChI=1S/C14H14O2S/c1-9-7-11(15)3-5-13(9)17-14-6-4-12(16)8-10(14)2/h3-8,15-16H,1-2H3
InChIKeyPJICANHHEXHVTN-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.87
Rot. Bonds2

About 4-(4-hydroxy-2-methylphenyl)sulfanyl-3-methylphenol

4-(4-hydroxy-2-methylphenyl)sulfanyl-3-methylphenol (PubChem CID 674719) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 4-(4-hydroxy-2-methylphenyl)sulfanyl-3-methylphenol.

Molecular Properties

Compound Name4-(4-hydroxy-2-methylphenyl)sulfanyl-3-methylphenol
PubChem CID674719
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name4-(4-hydroxy-2-methylphenyl)sulfanyl-3-methylphenol
SMILESCc1cc(O)ccc1Sc1ccc(O)cc1C
InChIInChI=1S/C14H14O2S/c1-9-7-11(15)3-5-13(9)17-14-6-4-12(16)8-10(14)2/h3-8,15-16H,1-2H3
InChIKeyPJICANHHEXHVTN-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 4-(4-hydroxy-2-methylphenyl)sulfanyl-3-methylphenol?
The IUPAC name of 4-(4-hydroxy-2-methylphenyl)sulfanyl-3-methylphenol (CID 674719) is 4-(4-hydroxy-2-methylphenyl)sulfanyl-3-methylphenol.
What is the SMILES notation for 4-(4-hydroxy-2-methylphenyl)sulfanyl-3-methylphenol?
The canonical SMILES for 4-(4-hydroxy-2-methylphenyl)sulfanyl-3-methylphenol is Cc1cc(O)ccc1Sc1ccc(O)cc1C.
What is the InChIKey of 4-(4-hydroxy-2-methylphenyl)sulfanyl-3-methylphenol?
The InChIKey is PJICANHHEXHVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-9-7-11(15)3-5-13(9)17-14-6-4-12(16)8-10(14)2/h3-8,15-16H,1-2H3.
What are the key properties of 4-(4-hydroxy-2-methylphenyl)sulfanyl-3-methylphenol?
4-(4-hydroxy-2-methylphenyl)sulfanyl-3-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 4-(4-hydroxy-2-methylphenyl)sulfanyl-3-methylphenol is sourced from PubChem (CID 674719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).