2-[2-(2-hydroxy-5-methylphenyl)sulfanylpropan-2-ylsulfanyl]-4-methylphenol

C17H20O2S2 — CID 5099768

IUPAC2-[2-(2-hydroxy-5-methylphenyl)sulfanylpropan-2-ylsulfanyl]-4-methylphenol
SMILESCc1ccc(O)c(SC(C)(C)Sc2cc(C)ccc2O)c1
InChIInChI=1S/C17H20O2S2/c1-11-5-7-13(18)15(9-11)20-17(3,4)21-16-10-12(2)6-8-14(16)19/h5-10,18-19H,1-4H3
InChIKeyWZWSIVGGFRVGRH-UHFFFAOYSA-N
MW320.48 g/mol
LogP5.34
Rot. Bonds4

About 2-[2-(2-hydroxy-5-methylphenyl)sulfanylpropan-2-ylsulfanyl]-4-methylphenol

2-[2-(2-hydroxy-5-methylphenyl)sulfanylpropan-2-ylsulfanyl]-4-methylphenol (PubChem CID 5099768) has the molecular formula C17H20O2S2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 2-[2-(2-hydroxy-5-methylphenyl)sulfanylpropan-2-ylsulfanyl]-4-methylphenol.

Molecular Properties

Compound Name2-[2-(2-hydroxy-5-methylphenyl)sulfanylpropan-2-ylsulfanyl]-4-methylphenol
PubChem CID5099768
Molecular FormulaC17H20O2S2
Molecular Weight320.48 g/mol
Exact Mass320.09
IUPAC Name2-[2-(2-hydroxy-5-methylphenyl)sulfanylpropan-2-ylsulfanyl]-4-methylphenol
SMILESCc1ccc(O)c(SC(C)(C)Sc2cc(C)ccc2O)c1
InChIInChI=1S/C17H20O2S2/c1-11-5-7-13(18)15(9-11)20-17(3,4)21-16-10-12(2)6-8-14(16)19/h5-10,18-19H,1-4H3
InChIKeyWZWSIVGGFRVGRH-UHFFFAOYSA-N
XLogP5.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.48
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol;2-tert-butyl-4-methylphenol
CID 158733485
2-(4-chlorophenyl)sulfanyl-4-methylphenol
CID 21411344
bis(2-tert-butyl-4-methylphenol);dichlorozirconium
CID 21185304
2,4-dimethylphenol
CID 67713801
bis(4-methylbenzene-1,2-diol);zirconium
CID 23558294
4-methyl-2-[1,2,2-tris(2-hydroxy-5-methylphenyl)ethyl]phenol
CID 154108469
2-[[2-hydroxy-3-(2-hydroxy-5-methylphenyl)sulfanyl-5-methylphenyl]methyl]-6-(2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol
CID 14899408
6,6-ditert-butyl-2-(2-hydroxy-5-methylphenyl)sulfanyl-4-methylcyclohexa-1,3-dien-1-ol
CID 121470730
2,4-dimethylphenol;yttrium
CID 87733318
CID 175892141
CID 175892141
CID 172763014
CID 172763014
tert-butylphosphane;chromium;bis(2,4-dimethylphenol);hydrochloride
CID 87866072

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxy-5-methylphenyl)sulfanylpropan-2-ylsulfanyl]-4-methylphenol?
The IUPAC name of 2-[2-(2-hydroxy-5-methylphenyl)sulfanylpropan-2-ylsulfanyl]-4-methylphenol (CID 5099768) is 2-[2-(2-hydroxy-5-methylphenyl)sulfanylpropan-2-ylsulfanyl]-4-methylphenol.
What is the SMILES notation for 2-[2-(2-hydroxy-5-methylphenyl)sulfanylpropan-2-ylsulfanyl]-4-methylphenol?
The canonical SMILES for 2-[2-(2-hydroxy-5-methylphenyl)sulfanylpropan-2-ylsulfanyl]-4-methylphenol is Cc1ccc(O)c(SC(C)(C)Sc2cc(C)ccc2O)c1.
What is the InChIKey of 2-[2-(2-hydroxy-5-methylphenyl)sulfanylpropan-2-ylsulfanyl]-4-methylphenol?
The InChIKey is WZWSIVGGFRVGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2S2/c1-11-5-7-13(18)15(9-11)20-17(3,4)21-16-10-12(2)6-8-14(16)19/h5-10,18-19H,1-4H3.
What are the key properties of 2-[2-(2-hydroxy-5-methylphenyl)sulfanylpropan-2-ylsulfanyl]-4-methylphenol?
2-[2-(2-hydroxy-5-methylphenyl)sulfanylpropan-2-ylsulfanyl]-4-methylphenol has a molecular weight of 320.48 g/mol, XLogP of 5.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxy-5-methylphenyl)sulfanylpropan-2-ylsulfanyl]-4-methylphenol is sourced from PubChem (CID 5099768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).