2,4-ditert-butyl-6-phenylsulfanylphenol

C20H26OS — CID 12058921

IUPAC2,4-ditert-butyl-6-phenylsulfanylphenol
SMILESCC(C)(C)c1cc(Sc2ccccc2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C20H26OS/c1-19(2,3)14-12-16(20(4,5)6)18(21)17(13-14)22-15-10-8-7-9-11-15/h7-13,21H,1-6H3
InChIKeyRLBDRVZELYGAEM-UHFFFAOYSA-N
MW314.49 g/mol
LogP6.14
Rot. Bonds2

About 2,4-ditert-butyl-6-phenylsulfanylphenol

2,4-ditert-butyl-6-phenylsulfanylphenol (PubChem CID 12058921) has the molecular formula C20H26OS and a molecular weight of 314.49 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-phenylsulfanylphenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-phenylsulfanylphenol
PubChem CID12058921
Molecular FormulaC20H26OS
Molecular Weight314.49 g/mol
Exact Mass314.17
IUPAC Name2,4-ditert-butyl-6-phenylsulfanylphenol
SMILESCC(C)(C)c1cc(Sc2ccccc2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C20H26OS/c1-19(2,3)14-12-16(20(4,5)6)18(21)17(13-14)22-15-10-8-7-9-11-15/h7-13,21H,1-6H3
InChIKeyRLBDRVZELYGAEM-UHFFFAOYSA-N
XLogP6.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.49
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis(copper(1+));bis(2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)sulfanylphenol);dichloride
CID 10898436
2,4-ditert-butyl-6-[(2-phenylsulfanylphenyl)iminomethyl]phenol;trichlorotitanium
CID 135475785
2,4-ditert-butyl-6-(1-hydroxy-1-phenylethyl)phenol
CID 91693696
2,6-ditert-butyl-4-[[3-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]-4-phenylsulfanylphenyl]methyl]phenol
CID 58276202
2,4-ditert-butyl-6-cyclopenta-1,3-dien-1-ylsulfanylphenol
CID 102368359
2,4-ditert-butyl-6-phenylphenol;titanium
CID 175919247
2,4-ditert-butyl-6-[2-[2-(3,5-ditert-butyl-2-hydroxyanilino)phenyl]sulfanylanilino]phenol
CID 102359329
4-tert-butyl-2-methyl-1-phenylsulfanylbenzene
CID 134392387
2,4-ditert-butyl-6-[2-(3,5-ditert-butyl-2-hydroxyphenyl)sulfanylethylsulfanyl]phenol;dichlorotitanium
CID 11192864
4-tert-butyl-2-[[1-[2-[(5-tert-butyl-2-hydroxy-3-phenylsulfanylphenyl)methylideneamino]naphthalen-1-yl]naphthalen-2-yl]iminomethyl]-6-phenylsulfanylphenol;copper
CID 135442203
2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol;sulfane
CID 174925209
1,4-ditert-butyl-2,3-difluoro-5-phenylsulfanylbenzene
CID 153327256

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-phenylsulfanylphenol?
The IUPAC name of 2,4-ditert-butyl-6-phenylsulfanylphenol (CID 12058921) is 2,4-ditert-butyl-6-phenylsulfanylphenol.
What is the SMILES notation for 2,4-ditert-butyl-6-phenylsulfanylphenol?
The canonical SMILES for 2,4-ditert-butyl-6-phenylsulfanylphenol is CC(C)(C)c1cc(Sc2ccccc2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,4-ditert-butyl-6-phenylsulfanylphenol?
The InChIKey is RLBDRVZELYGAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26OS/c1-19(2,3)14-12-16(20(4,5)6)18(21)17(13-14)22-15-10-8-7-9-11-15/h7-13,21H,1-6H3.
What are the key properties of 2,4-ditert-butyl-6-phenylsulfanylphenol?
2,4-ditert-butyl-6-phenylsulfanylphenol has a molecular weight of 314.49 g/mol, XLogP of 6.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-phenylsulfanylphenol is sourced from PubChem (CID 12058921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).