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

C14H15ClS — CID 58328117

IUPAC2-tert-butyl-4-(4-chlorophenyl)thiophene
SMILESCC(C)(C)c1cc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C14H15ClS/c1-14(2,3)13-8-11(9-16-13)10-4-6-12(15)7-5-10/h4-9H,1-3H3
InChIKeyFIZJSQWERRZZCN-UHFFFAOYSA-N
MW250.79 g/mol
LogP5.37
Rot. Bonds1

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

2-tert-butyl-4-(4-chlorophenyl)thiophene (PubChem CID 58328117) has the molecular formula C14H15ClS and a molecular weight of 250.79 g/mol. Its IUPAC name is 2-tert-butyl-4-(4-chlorophenyl)thiophene.

Molecular Properties

Compound Name2-tert-butyl-4-(4-chlorophenyl)thiophene
PubChem CID58328117
Molecular FormulaC14H15ClS
Molecular Weight250.79 g/mol
Exact Mass250.06
IUPAC Name2-tert-butyl-4-(4-chlorophenyl)thiophene
SMILESCC(C)(C)c1cc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C14H15ClS/c1-14(2,3)13-8-11(9-16-13)10-4-6-12(15)7-5-10/h4-9H,1-3H3
InChIKeyFIZJSQWERRZZCN-UHFFFAOYSA-N
XLogP5.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.79
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(4-chlorophenyl)thiophene?
The IUPAC name of 2-tert-butyl-4-(4-chlorophenyl)thiophene (CID 58328117) is 2-tert-butyl-4-(4-chlorophenyl)thiophene.
What is the SMILES notation for 2-tert-butyl-4-(4-chlorophenyl)thiophene?
The canonical SMILES for 2-tert-butyl-4-(4-chlorophenyl)thiophene is CC(C)(C)c1cc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of 2-tert-butyl-4-(4-chlorophenyl)thiophene?
The InChIKey is FIZJSQWERRZZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClS/c1-14(2,3)13-8-11(9-16-13)10-4-6-12(15)7-5-10/h4-9H,1-3H3.
What are the key properties of 2-tert-butyl-4-(4-chlorophenyl)thiophene?
2-tert-butyl-4-(4-chlorophenyl)thiophene has a molecular weight of 250.79 g/mol, XLogP of 5.37, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(4-chlorophenyl)thiophene is sourced from PubChem (CID 58328117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).