2-[3-(4-tert-butylphenyl)phenyl]thiophene

C20H20S — CID 174720161

IUPAC2-[3-(4-tert-butylphenyl)phenyl]thiophene
SMILESCC(C)(C)c1ccc(-c2cccc(-c3cccs3)c2)cc1
InChIInChI=1S/C20H20S/c1-20(2,3)18-11-9-15(10-12-18)16-6-4-7-17(14-16)19-8-5-13-21-19/h4-14H,1-3H3
InChIKeyOIGBKFNEWLQBEA-UHFFFAOYSA-N
MW292.45 g/mol
LogP6.38
Rot. Bonds2

About 2-[3-(4-tert-butylphenyl)phenyl]thiophene

2-[3-(4-tert-butylphenyl)phenyl]thiophene (PubChem CID 174720161) has the molecular formula C20H20S and a molecular weight of 292.45 g/mol. Its IUPAC name is 2-[3-(4-tert-butylphenyl)phenyl]thiophene.

Molecular Properties

Compound Name2-[3-(4-tert-butylphenyl)phenyl]thiophene
PubChem CID174720161
Molecular FormulaC20H20S
Molecular Weight292.45 g/mol
Exact Mass292.13
IUPAC Name2-[3-(4-tert-butylphenyl)phenyl]thiophene
SMILESCC(C)(C)c1ccc(-c2cccc(-c3cccs3)c2)cc1
InChIInChI=1S/C20H20S/c1-20(2,3)18-11-9-15(10-12-18)16-6-4-7-17(14-16)19-8-5-13-21-19/h4-14H,1-3H3
InChIKeyOIGBKFNEWLQBEA-UHFFFAOYSA-N
XLogP6.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.45
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Phenylthiophene
CID 75473
3-Methyl-4-phenylthiophene
CID 11993868
2,5-Diphenylthiophene
CID 74050
2-[(E)-2-(4-tert-butylphenyl)ethenyl]-5-thiophen-2-ylthiophene
CID 46850582
2,3-Diphenylthiophene
CID 2801736
2-[(E)-2-(4-methylphenyl)ethenyl]-5-thiophen-2-ylthiophene
CID 53330120
2-(4-Methylphenyl)thiophene
CID 4128466
3-Benzo[a]anthracen-12-ylthiophene
CID 4043484
2-[(E)-2-(4-tert-butylphenyl)ethenyl]-5-(5-iodothiophen-2-yl)thiophene
CID 53330306
2-[(E)-2-(3,4,5-triethylphenyl)ethenyl]-1-benzothiophene
CID 122183839
2,5-Bis(4-(methylthio)phenyl)thiophene
CID 44408778
2-(2-Naphthyl)thiophene
CID 454756

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-tert-butylphenyl)phenyl]thiophene?
The IUPAC name of 2-[3-(4-tert-butylphenyl)phenyl]thiophene (CID 174720161) is 2-[3-(4-tert-butylphenyl)phenyl]thiophene.
What is the SMILES notation for 2-[3-(4-tert-butylphenyl)phenyl]thiophene?
The canonical SMILES for 2-[3-(4-tert-butylphenyl)phenyl]thiophene is CC(C)(C)c1ccc(-c2cccc(-c3cccs3)c2)cc1.
What is the InChIKey of 2-[3-(4-tert-butylphenyl)phenyl]thiophene?
The InChIKey is OIGBKFNEWLQBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20S/c1-20(2,3)18-11-9-15(10-12-18)16-6-4-7-17(14-16)19-8-5-13-21-19/h4-14H,1-3H3.
What are the key properties of 2-[3-(4-tert-butylphenyl)phenyl]thiophene?
2-[3-(4-tert-butylphenyl)phenyl]thiophene has a molecular weight of 292.45 g/mol, XLogP of 6.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-tert-butylphenyl)phenyl]thiophene is sourced from PubChem (CID 174720161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).