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-bromo-2-(4-tert-butylphenyl)-5-thiophen-2-ylthiophene
CID 89484063
1-tert-butyl-3-(4-tert-butylphenyl)benzene
CID 12682933
tert-butylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-(4-phenylphenyl)benzene;1-tert-butyl-4-(3-phenylphenyl)benzene;1-tert-butyl-4-(4-phenylphenyl)benzene;1,4-ditert-butylbenzene
CID 162095144
ethane;2-(3-methylphenyl)thiophene
CID 143181554
2-[3-(3,5-dithiophen-2-ylphenyl)-5-thiophen-2-ylphenyl]thiophene
CID 25194793
N-(4-tert-butylphenyl)-4-[4-[N-(4-tert-butylphenyl)-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)-N-[4-(5-thiophen-2-ylthiophen-2-yl)phenyl]anilino]phenyl]anilino]phenyl]-N-methylaniline
CID 58825535
2-(3-fluorophenyl)thiophene
CID 22486407
2-(3-propan-2-ylphenyl)thiophene
CID 57011596
2-(7-thiophen-2-ylnaphthalen-2-yl)thiophene
CID 824515
6-phenylcyclopenta[b]thiopyran
CID 175596578
2-(20-thiophen-2-yl-7-hexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaenyl)thiophene
CID 58411506
1-(4-tert-butylphenyl)-6-thiophen-2-yl-3,4-dihydro-2H-quinoline
CID 139256208

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).