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

C19H24O2S — CID 59518347

IUPAC4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-2,5-dimethylphenol
SMILESCc1cc(Sc2cc(C(C)(C)C)c(O)cc2C)c(C)cc1O
InChIInChI=1S/C19H24O2S/c1-11-9-17(12(2)7-15(11)20)22-18-10-14(19(4,5)6)16(21)8-13(18)3/h7-10,20-21H,1-6H3
InChIKeyCYBLUVHHEUZDCE-UHFFFAOYSA-N
MW316.47 g/mol
LogP5.47
Rot. Bonds2

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

4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-2,5-dimethylphenol (PubChem CID 59518347) has the molecular formula C19H24O2S and a molecular weight of 316.47 g/mol. Its IUPAC name is 4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-2,5-dimethylphenol.

Molecular Properties

Compound Name4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-2,5-dimethylphenol
PubChem CID59518347
Molecular FormulaC19H24O2S
Molecular Weight316.47 g/mol
Exact Mass316.15
IUPAC Name4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-2,5-dimethylphenol
SMILESCc1cc(Sc2cc(C(C)(C)C)c(O)cc2C)c(C)cc1O
InChIInChI=1S/C19H24O2S/c1-11-9-17(12(2)7-15(11)20)22-18-10-14(19(4,5)6)16(21)8-13(18)3/h7-10,20-21H,1-6H3
InChIKeyCYBLUVHHEUZDCE-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-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol;2-tert-butyl-4-methylphenol
CID 158733485
2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)disulfanyl]-5-methylphenol
CID 15919604
[2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenyl] prop-2-enoate
CID 164800249
benzene-1,3-diol;benzoic acid;2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol
CID 88513228
4-[4-hydroxy-2-methyl-5-(2-methylpentan-2-yl)phenyl]sulfanyl-5-methyl-2-(2-methylpentan-2-yl)phenol
CID 71344374
2,4-ditert-butyl-5-methylphenol
CID 10346
2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenol;2,6-ditert-butyl-4-(4-methylcyclohexyl)phenol
CID 91074581
2-tert-butyl-4-[5-tert-butyl-4-[5-[2-tert-butyl-4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-5-methylphenyl]-3,9-dihydroxy-2,4,8,10-tetraoxa-3,9-diphosphaspiro[5.5]undecan-5-yl]-2-methylphenyl]sulfanyl-5-methylphenol
CID 101318234
2,4-ditert-butyl-5-methylphenol;titanium
CID 174406764
2-tert-butyl-5-methyl-4-[2,3,3-tris(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]phenol
CID 160646007
2-tert-butyl-5-methyl-4-propan-2-ylphenol
CID 14266735
2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methylphenol
CID 117318718

Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-2,5-dimethylphenol?
The IUPAC name of 4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-2,5-dimethylphenol (CID 59518347) is 4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-2,5-dimethylphenol.
What is the SMILES notation for 4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-2,5-dimethylphenol?
The canonical SMILES for 4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-2,5-dimethylphenol is Cc1cc(Sc2cc(C(C)(C)C)c(O)cc2C)c(C)cc1O.
What is the InChIKey of 4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-2,5-dimethylphenol?
The InChIKey is CYBLUVHHEUZDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2S/c1-11-9-17(12(2)7-15(11)20)22-18-10-14(19(4,5)6)16(21)8-13(18)3/h7-10,20-21H,1-6H3.
What are the key properties of 4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-2,5-dimethylphenol?
4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-2,5-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 4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-2,5-dimethylphenol is sourced from PubChem (CID 59518347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).