2-(3-tert-butyl-2-hydroxy-5-methylphenyl)sulfanyl-4,6-dimethylphenol

C19H24O2S — CID 59187830

IUPAC2-(3-tert-butyl-2-hydroxy-5-methylphenyl)sulfanyl-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(Sc2cc(C)cc(C(C)(C)C)c2O)c1
InChIInChI=1S/C19H24O2S/c1-11-7-13(3)17(20)15(9-11)22-16-10-12(2)8-14(18(16)21)19(4,5)6/h7-10,20-21H,1-6H3
InChIKeyKDVIUOOLFURIDT-UHFFFAOYSA-N
MW316.47 g/mol
LogP5.47
Rot. Bonds2

About 2-(3-tert-butyl-2-hydroxy-5-methylphenyl)sulfanyl-4,6-dimethylphenol

2-(3-tert-butyl-2-hydroxy-5-methylphenyl)sulfanyl-4,6-dimethylphenol (PubChem CID 59187830) has the molecular formula C19H24O2S and a molecular weight of 316.47 g/mol. Its IUPAC name is 2-(3-tert-butyl-2-hydroxy-5-methylphenyl)sulfanyl-4,6-dimethylphenol.

Molecular Properties

Compound Name2-(3-tert-butyl-2-hydroxy-5-methylphenyl)sulfanyl-4,6-dimethylphenol
PubChem CID59187830
Molecular FormulaC19H24O2S
Molecular Weight316.47 g/mol
Exact Mass316.15
IUPAC Name2-(3-tert-butyl-2-hydroxy-5-methylphenyl)sulfanyl-4,6-dimethylphenol
SMILESCc1cc(C)c(O)c(Sc2cc(C)cc(C(C)(C)C)c2O)c1
InChIInChI=1S/C19H24O2S/c1-11-7-13(3)17(20)15(9-11)22-16-10-12(2)8-14(18(16)21)19(4,5)6/h7-10,20-21H,1-6H3
InChIKeyKDVIUOOLFURIDT-UHFFFAOYSA-N
XLogP5.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.47
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol;sulfane
CID 174925209
2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol;titanium;dihydrochloride
CID 173203929
2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol;dichlorotitanium
CID 85407072
2-tert-butyl-4,6-dimethylphenol
CID 87814182
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670
2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249
2,6-ditert-butyl-4-methylphenol;titanium(2+);dichloride
CID 87485865
2-[(2-hydroxy-3,5-dimethylphenyl)disulfanyl]-4,6-dimethylphenol
CID 22600807
2,6-ditert-butyl-4-methylphenol;zirconium;hydrochloride
CID 87931050
bis(copper(1+));bis(2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)sulfanylphenol);dichloride
CID 10898436
[2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenyl] prop-2-enoate
CID 88524373

Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butyl-2-hydroxy-5-methylphenyl)sulfanyl-4,6-dimethylphenol?
The IUPAC name of 2-(3-tert-butyl-2-hydroxy-5-methylphenyl)sulfanyl-4,6-dimethylphenol (CID 59187830) is 2-(3-tert-butyl-2-hydroxy-5-methylphenyl)sulfanyl-4,6-dimethylphenol.
What is the SMILES notation for 2-(3-tert-butyl-2-hydroxy-5-methylphenyl)sulfanyl-4,6-dimethylphenol?
The canonical SMILES for 2-(3-tert-butyl-2-hydroxy-5-methylphenyl)sulfanyl-4,6-dimethylphenol is Cc1cc(C)c(O)c(Sc2cc(C)cc(C(C)(C)C)c2O)c1.
What is the InChIKey of 2-(3-tert-butyl-2-hydroxy-5-methylphenyl)sulfanyl-4,6-dimethylphenol?
The InChIKey is KDVIUOOLFURIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2S/c1-11-7-13(3)17(20)15(9-11)22-16-10-12(2)8-14(18(16)21)19(4,5)6/h7-10,20-21H,1-6H3.
What are the key properties of 2-(3-tert-butyl-2-hydroxy-5-methylphenyl)sulfanyl-4,6-dimethylphenol?
2-(3-tert-butyl-2-hydroxy-5-methylphenyl)sulfanyl-4,6-dimethylphenol has a molecular weight of 316.47 g/mol, XLogP of 5.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butyl-2-hydroxy-5-methylphenyl)sulfanyl-4,6-dimethylphenol is sourced from PubChem (CID 59187830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).