2,4-ditert-butyl-6-thiophen-2-ylphenol

C18H24OS — CID 89393414

IUPAC2,4-ditert-butyl-6-thiophen-2-ylphenol
SMILESCC(C)(C)c1cc(-c2cccs2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C18H24OS/c1-17(2,3)12-10-13(15-8-7-9-20-15)16(19)14(11-12)18(4,5)6/h7-11,19H,1-6H3
InChIKeyVDZXFCFPTHRJCW-UHFFFAOYSA-N
MW288.46 g/mol
LogP5.72
Rot. Bonds1

About 2,4-ditert-butyl-6-thiophen-2-ylphenol

2,4-ditert-butyl-6-thiophen-2-ylphenol (PubChem CID 89393414) has the molecular formula C18H24OS and a molecular weight of 288.46 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-thiophen-2-ylphenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-thiophen-2-ylphenol
PubChem CID89393414
Molecular FormulaC18H24OS
Molecular Weight288.46 g/mol
Exact Mass288.15
IUPAC Name2,4-ditert-butyl-6-thiophen-2-ylphenol
SMILESCC(C)(C)c1cc(-c2cccs2)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C18H24OS/c1-17(2,3)12-10-13(15-8-7-9-20-15)16(19)14(11-12)18(4,5)6/h7-11,19H,1-6H3
InChIKeyVDZXFCFPTHRJCW-UHFFFAOYSA-N
XLogP5.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.46
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-ditert-butyl-2-methoxyphenyl)thiophene
CID 118119685
2,4-ditert-butyl-6-phenylphenol;titanium
CID 175919247
2-(2-tert-butyl-5-methylphenyl)thiophene
CID 70251318
4-tert-butyl-2-[9-(3-tert-butyl-5-thiophen-2-ylphenyl)-1,10-phenanthrolin-2-yl]-6-thiophen-2-ylphenol
CID 145474627
2,9-bis(5-tert-butyl-2-methoxy-3-thiophen-2-ylphenyl)-1,10-phenanthroline;4-tert-butyl-2-[9-(5-tert-butyl-2-hydroxy-3-thiophen-2-ylphenyl)-1,10-phenanthrolin-2-yl]-6-thiophen-2-ylphenol;methane
CID 158010067
3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-7-ylidene-(2,4,6-tritert-butylphenyl)arsane
CID 177449228
2,4-ditert-butyl-6-[[(3,5-ditert-butyl-2-hydroxyphenyl)methyl-(thiophen-2-ylmethyl)amino]methyl]phenol
CID 102048603
2,4-ditert-butyl-6-[4-tert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)-2-pyridinyl]phenol
CID 136669231
CID 135046337
CID 135046337
2,4-ditert-butyl-6-(1-hydroxy-1-phenylethyl)phenol
CID 91693696
2,6-ditert-butyl-4-[(E)-2-thiophen-2-ylethenyl]phenol
CID 14416570
2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxyphenyl)sulfinylphenol
CID 10790081

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-thiophen-2-ylphenol?
The IUPAC name of 2,4-ditert-butyl-6-thiophen-2-ylphenol (CID 89393414) is 2,4-ditert-butyl-6-thiophen-2-ylphenol.
What is the SMILES notation for 2,4-ditert-butyl-6-thiophen-2-ylphenol?
The canonical SMILES for 2,4-ditert-butyl-6-thiophen-2-ylphenol is CC(C)(C)c1cc(-c2cccs2)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,4-ditert-butyl-6-thiophen-2-ylphenol?
The InChIKey is VDZXFCFPTHRJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24OS/c1-17(2,3)12-10-13(15-8-7-9-20-15)16(19)14(11-12)18(4,5)6/h7-11,19H,1-6H3.
What are the key properties of 2,4-ditert-butyl-6-thiophen-2-ylphenol?
2,4-ditert-butyl-6-thiophen-2-ylphenol has a molecular weight of 288.46 g/mol, XLogP of 5.72, 1 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-thiophen-2-ylphenol is sourced from PubChem (CID 89393414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).