4-(4-tert-butylphenyl)-2-(4-chlorophenyl)thiophene

C20H19ClS — CID 174720153

IUPAC4-(4-tert-butylphenyl)-2-(4-chlorophenyl)thiophene
SMILESCC(C)(C)c1ccc(-c2csc(-c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C20H19ClS/c1-20(2,3)17-8-4-14(5-9-17)16-12-19(22-13-16)15-6-10-18(21)11-7-15/h4-13H,1-3H3
InChIKeyBPOAKMXMLRDNPG-UHFFFAOYSA-N
MW326.89 g/mol
LogP7.03
Rot. Bonds2

About 4-(4-tert-butylphenyl)-2-(4-chlorophenyl)thiophene

4-(4-tert-butylphenyl)-2-(4-chlorophenyl)thiophene (PubChem CID 174720153) has the molecular formula C20H19ClS and a molecular weight of 326.89 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-2-(4-chlorophenyl)thiophene.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-2-(4-chlorophenyl)thiophene
PubChem CID174720153
Molecular FormulaC20H19ClS
Molecular Weight326.89 g/mol
Exact Mass326.09
IUPAC Name4-(4-tert-butylphenyl)-2-(4-chlorophenyl)thiophene
SMILESCC(C)(C)c1ccc(-c2csc(-c3ccc(Cl)cc3)c2)cc1
InChIInChI=1S/C20H19ClS/c1-20(2,3)17-8-4-14(5-9-17)16-12-19(22-13-16)15-6-10-18(21)11-7-15/h4-13H,1-3H3
InChIKeyBPOAKMXMLRDNPG-UHFFFAOYSA-N
XLogP7.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.89
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-4-(4-chlorophenyl)thiophene
CID 58328117
bis(1-tert-butyl-4-chlorobenzene);hydrate
CID 91871679
5-(4-chlorophenyl)thiophen-3-ol
CID 174919982
2-(3,4-dichlorophenyl)-4-(3,5-dimethylphenyl)thiophene
CID 132562054
2-[3-(4-tert-butylphenyl)phenyl]thiophene
CID 174720161
4-(4-chlorophenyl)-2-ethynylthiophene
CID 171393346
4-tert-butyl-2-(4-chlorophenyl)-1-fluorobenzene
CID 58049394
1-chloro-4-(1,1-dichloroethyl)benzene
CID 12861387
4-(4-tert-butylphenyl)-2,6-dichloropyridine
CID 170341950
magnesium;4-bromo-2-methylthiophene;tert-butylbenzene;4-(4-tert-butylphenyl)-2-methylthiophene;bromide
CID 162045592
4-tert-butyl-N-(4-chlorophenyl)aniline
CID 15533800
1-tert-butyl-3-(4-tert-butylphenyl)benzene
CID 12682933

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-2-(4-chlorophenyl)thiophene?
The IUPAC name of 4-(4-tert-butylphenyl)-2-(4-chlorophenyl)thiophene (CID 174720153) is 4-(4-tert-butylphenyl)-2-(4-chlorophenyl)thiophene.
What is the SMILES notation for 4-(4-tert-butylphenyl)-2-(4-chlorophenyl)thiophene?
The canonical SMILES for 4-(4-tert-butylphenyl)-2-(4-chlorophenyl)thiophene is CC(C)(C)c1ccc(-c2csc(-c3ccc(Cl)cc3)c2)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-2-(4-chlorophenyl)thiophene?
The InChIKey is BPOAKMXMLRDNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClS/c1-20(2,3)17-8-4-14(5-9-17)16-12-19(22-13-16)15-6-10-18(21)11-7-15/h4-13H,1-3H3.
What are the key properties of 4-(4-tert-butylphenyl)-2-(4-chlorophenyl)thiophene?
4-(4-tert-butylphenyl)-2-(4-chlorophenyl)thiophene has a molecular weight of 326.89 g/mol, XLogP of 7.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-2-(4-chlorophenyl)thiophene is sourced from PubChem (CID 174720153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).