2-(2-hydroxy-4,5-dimethylphenyl)-4-methyl-6-sulfanyloxyphenol

C15H16O3S — CID 129015641

IUPAC2-(2-hydroxy-4,5-dimethylphenyl)-4-methyl-6-sulfanyloxyphenol
SMILESCc1cc(OS)c(O)c(-c2cc(C)c(C)cc2O)c1
InChIInChI=1S/C15H16O3S/c1-8-4-12(15(17)14(5-8)18-19)11-6-9(2)10(3)7-13(11)16/h4-7,16-17,19H,1-3H3
InChIKeyAUKANWQAXZLCSS-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.91
Rot. Bonds2

About 2-(2-hydroxy-4,5-dimethylphenyl)-4-methyl-6-sulfanyloxyphenol

2-(2-hydroxy-4,5-dimethylphenyl)-4-methyl-6-sulfanyloxyphenol (PubChem CID 129015641) has the molecular formula C15H16O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-(2-hydroxy-4,5-dimethylphenyl)-4-methyl-6-sulfanyloxyphenol.

Molecular Properties

Compound Name2-(2-hydroxy-4,5-dimethylphenyl)-4-methyl-6-sulfanyloxyphenol
PubChem CID129015641
Molecular FormulaC15H16O3S
Molecular Weight276.36 g/mol
Exact Mass276.08
IUPAC Name2-(2-hydroxy-4,5-dimethylphenyl)-4-methyl-6-sulfanyloxyphenol
SMILESCc1cc(OS)c(O)c(-c2cc(C)c(C)cc2O)c1
InChIInChI=1S/C15H16O3S/c1-8-4-12(15(17)14(5-8)18-19)11-6-9(2)10(3)7-13(11)16/h4-7,16-17,19H,1-3H3
InChIKeyAUKANWQAXZLCSS-UHFFFAOYSA-N
XLogP3.91
TPSA49.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-4,5-dimethylphenyl)-4-methyl-6-sulfanyloxyphenol?
The IUPAC name of 2-(2-hydroxy-4,5-dimethylphenyl)-4-methyl-6-sulfanyloxyphenol (CID 129015641) is 2-(2-hydroxy-4,5-dimethylphenyl)-4-methyl-6-sulfanyloxyphenol.
What is the SMILES notation for 2-(2-hydroxy-4,5-dimethylphenyl)-4-methyl-6-sulfanyloxyphenol?
The canonical SMILES for 2-(2-hydroxy-4,5-dimethylphenyl)-4-methyl-6-sulfanyloxyphenol is Cc1cc(OS)c(O)c(-c2cc(C)c(C)cc2O)c1.
What is the InChIKey of 2-(2-hydroxy-4,5-dimethylphenyl)-4-methyl-6-sulfanyloxyphenol?
The InChIKey is AUKANWQAXZLCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S/c1-8-4-12(15(17)14(5-8)18-19)11-6-9(2)10(3)7-13(11)16/h4-7,16-17,19H,1-3H3.
What are the key properties of 2-(2-hydroxy-4,5-dimethylphenyl)-4-methyl-6-sulfanyloxyphenol?
2-(2-hydroxy-4,5-dimethylphenyl)-4-methyl-6-sulfanyloxyphenol has a molecular weight of 276.36 g/mol, XLogP of 3.91, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-4,5-dimethylphenyl)-4-methyl-6-sulfanyloxyphenol is sourced from PubChem (CID 129015641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).