2-tert-butyl-8-(2-methyl-2-thiophen-2-ylpropyl)dibenzofuran

C24H26OS — CID 154955399

IUPAC2-tert-butyl-8-(2-methyl-2-thiophen-2-ylpropyl)dibenzofuran
SMILESCC(C)(C)c1ccc2oc3ccc(CC(C)(C)c4cccs4)cc3c2c1
InChIInChI=1S/C24H26OS/c1-23(2,3)17-9-11-21-19(14-17)18-13-16(8-10-20(18)25-21)15-24(4,5)22-7-6-12-26-22/h6-14H,15H2,1-5H3
InChIKeyJTCSEPMGSQCRAI-UHFFFAOYSA-N
MW362.54 g/mol
LogP7.47
Rot. Bonds3

About 2-tert-butyl-8-(2-methyl-2-thiophen-2-ylpropyl)dibenzofuran

2-tert-butyl-8-(2-methyl-2-thiophen-2-ylpropyl)dibenzofuran (PubChem CID 154955399) has the molecular formula C24H26OS and a molecular weight of 362.54 g/mol. Its IUPAC name is 2-tert-butyl-8-(2-methyl-2-thiophen-2-ylpropyl)dibenzofuran.

Molecular Properties

Compound Name2-tert-butyl-8-(2-methyl-2-thiophen-2-ylpropyl)dibenzofuran
PubChem CID154955399
Molecular FormulaC24H26OS
Molecular Weight362.54 g/mol
Exact Mass362.17
IUPAC Name2-tert-butyl-8-(2-methyl-2-thiophen-2-ylpropyl)dibenzofuran
SMILESCC(C)(C)c1ccc2oc3ccc(CC(C)(C)c4cccs4)cc3c2c1
InChIInChI=1S/C24H26OS/c1-23(2,3)17-9-11-21-19(14-17)18-13-16(8-10-20(18)25-21)15-24(4,5)22-7-6-12-26-22/h6-14H,15H2,1-5H3
InChIKeyJTCSEPMGSQCRAI-UHFFFAOYSA-N
XLogP7.47
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.54
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-8-(2-methyl-2-thiophen-2-ylpropyl)dibenzofuran?
The IUPAC name of 2-tert-butyl-8-(2-methyl-2-thiophen-2-ylpropyl)dibenzofuran (CID 154955399) is 2-tert-butyl-8-(2-methyl-2-thiophen-2-ylpropyl)dibenzofuran.
What is the SMILES notation for 2-tert-butyl-8-(2-methyl-2-thiophen-2-ylpropyl)dibenzofuran?
The canonical SMILES for 2-tert-butyl-8-(2-methyl-2-thiophen-2-ylpropyl)dibenzofuran is CC(C)(C)c1ccc2oc3ccc(CC(C)(C)c4cccs4)cc3c2c1.
What is the InChIKey of 2-tert-butyl-8-(2-methyl-2-thiophen-2-ylpropyl)dibenzofuran?
The InChIKey is JTCSEPMGSQCRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26OS/c1-23(2,3)17-9-11-21-19(14-17)18-13-16(8-10-20(18)25-21)15-24(4,5)22-7-6-12-26-22/h6-14H,15H2,1-5H3.
What are the key properties of 2-tert-butyl-8-(2-methyl-2-thiophen-2-ylpropyl)dibenzofuran?
2-tert-butyl-8-(2-methyl-2-thiophen-2-ylpropyl)dibenzofuran has a molecular weight of 362.54 g/mol, XLogP of 7.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-8-(2-methyl-2-thiophen-2-ylpropyl)dibenzofuran is sourced from PubChem (CID 154955399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).