4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)methylsulfanylmethyl]-5-methyl-2-(2-methylpropyl)phenol

C24H34O2S — CID 58352240

IUPAC4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)methylsulfanylmethyl]-5-methyl-2-(2-methylpropyl)phenol
SMILESCc1cc(O)c(CC(C)C)cc1CSCc1cc(C(C)(C)C)c(O)cc1C
InChIInChI=1S/C24H34O2S/c1-15(2)8-18-11-19(16(3)9-22(18)25)13-27-14-20-12-21(24(5,6)7)23(26)10-17(20)4/h9-12,15,25-26H,8,13-14H2,1-7H3
InChIKeyPDYMTZKGAGFXQH-UHFFFAOYSA-N
MW386.60 g/mol
LogP6.64
Rot. Bonds6

About 4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)methylsulfanylmethyl]-5-methyl-2-(2-methylpropyl)phenol

4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)methylsulfanylmethyl]-5-methyl-2-(2-methylpropyl)phenol (PubChem CID 58352240) has the molecular formula C24H34O2S and a molecular weight of 386.60 g/mol. Its IUPAC name is 4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)methylsulfanylmethyl]-5-methyl-2-(2-methylpropyl)phenol.

Molecular Properties

Compound Name4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)methylsulfanylmethyl]-5-methyl-2-(2-methylpropyl)phenol
PubChem CID58352240
Molecular FormulaC24H34O2S
Molecular Weight386.60 g/mol
Exact Mass386.23
IUPAC Name4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)methylsulfanylmethyl]-5-methyl-2-(2-methylpropyl)phenol
SMILESCc1cc(O)c(CC(C)C)cc1CSCc1cc(C(C)(C)C)c(O)cc1C
InChIInChI=1S/C24H34O2S/c1-15(2)8-18-11-19(16(3)9-22(18)25)13-27-14-20-12-21(24(5,6)7)23(26)10-17(20)4/h9-12,15,25-26H,8,13-14H2,1-7H3
InChIKeyPDYMTZKGAGFXQH-UHFFFAOYSA-N
XLogP6.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.60
LogP ≤ 56.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-4-(2-hydroxypropyl)-5-methylphenol
CID 117318695
4-tert-butyl-2-methyl-5-(2-methylpropyl)phenol
CID 142267166
2-(5-tert-butyl-4-hydroxy-2-methylphenyl)acetaldehyde
CID 154998394
2-tert-butyl-4-(3-hydroxypropyl)-5-methylphenol
CID 117318740
2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)disulfanyl]-5-methylphenol
CID 15919604
2,4-ditert-butyl-5-methylphenol
CID 10346
2-tert-butyl-5-methyl-4-propan-2-ylphenol
CID 14266735
4-tert-butyl-6-(hydroxymethyl)benzene-1,3-diol
CID 23345326
2,4-ditert-butyl-5-methylphenol;titanium
CID 174406764
2-tert-butyl-5-methyl-4-(3-methylbutan-2-yl)phenol
CID 58510517
4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-2,5-dimethylphenol
CID 59518347
2-tert-butyl-5-(2-ethyl-3,3-dimethylbutyl)benzene-1,4-diol
CID 141276702

Frequently Asked Questions

What is the IUPAC name of 4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)methylsulfanylmethyl]-5-methyl-2-(2-methylpropyl)phenol?
The IUPAC name of 4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)methylsulfanylmethyl]-5-methyl-2-(2-methylpropyl)phenol (CID 58352240) is 4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)methylsulfanylmethyl]-5-methyl-2-(2-methylpropyl)phenol.
What is the SMILES notation for 4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)methylsulfanylmethyl]-5-methyl-2-(2-methylpropyl)phenol?
The canonical SMILES for 4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)methylsulfanylmethyl]-5-methyl-2-(2-methylpropyl)phenol is Cc1cc(O)c(CC(C)C)cc1CSCc1cc(C(C)(C)C)c(O)cc1C.
What is the InChIKey of 4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)methylsulfanylmethyl]-5-methyl-2-(2-methylpropyl)phenol?
The InChIKey is PDYMTZKGAGFXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34O2S/c1-15(2)8-18-11-19(16(3)9-22(18)25)13-27-14-20-12-21(24(5,6)7)23(26)10-17(20)4/h9-12,15,25-26H,8,13-14H2,1-7H3.
What are the key properties of 4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)methylsulfanylmethyl]-5-methyl-2-(2-methylpropyl)phenol?
4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)methylsulfanylmethyl]-5-methyl-2-(2-methylpropyl)phenol has a molecular weight of 386.60 g/mol, XLogP of 6.64, 6 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)methylsulfanylmethyl]-5-methyl-2-(2-methylpropyl)phenol is sourced from PubChem (CID 58352240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).