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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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).