2-(2-tert-butyl-5-methylphenyl)thiophene

C15H18S — CID 70251318

IUPAC2-(2-tert-butyl-5-methylphenyl)thiophene
SMILESCc1ccc(C(C)(C)C)c(-c2cccs2)c1
InChIInChI=1S/C15H18S/c1-11-7-8-13(15(2,3)4)12(10-11)14-6-5-9-16-14/h5-10H,1-4H3
InChIKeyUHJZPDUBNKQBCF-UHFFFAOYSA-N
MW230.38 g/mol
LogP5.02
Rot. Bonds1

About 2-(2-tert-butyl-5-methylphenyl)thiophene

2-(2-tert-butyl-5-methylphenyl)thiophene (PubChem CID 70251318) has the molecular formula C15H18S and a molecular weight of 230.38 g/mol. Its IUPAC name is 2-(2-tert-butyl-5-methylphenyl)thiophene.

Molecular Properties

Compound Name2-(2-tert-butyl-5-methylphenyl)thiophene
PubChem CID70251318
Molecular FormulaC15H18S
Molecular Weight230.38 g/mol
Exact Mass230.11
IUPAC Name2-(2-tert-butyl-5-methylphenyl)thiophene
SMILESCc1ccc(C(C)(C)C)c(-c2cccs2)c1
InChIInChI=1S/C15H18S/c1-11-7-8-13(15(2,3)4)12(10-11)14-6-5-9-16-14/h5-10H,1-4H3
InChIKeyUHJZPDUBNKQBCF-UHFFFAOYSA-N
XLogP5.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.38
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-5-methylphenyl)thiophene?
The IUPAC name of 2-(2-tert-butyl-5-methylphenyl)thiophene (CID 70251318) is 2-(2-tert-butyl-5-methylphenyl)thiophene.
What is the SMILES notation for 2-(2-tert-butyl-5-methylphenyl)thiophene?
The canonical SMILES for 2-(2-tert-butyl-5-methylphenyl)thiophene is Cc1ccc(C(C)(C)C)c(-c2cccs2)c1.
What is the InChIKey of 2-(2-tert-butyl-5-methylphenyl)thiophene?
The InChIKey is UHJZPDUBNKQBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18S/c1-11-7-8-13(15(2,3)4)12(10-11)14-6-5-9-16-14/h5-10H,1-4H3.
What are the key properties of 2-(2-tert-butyl-5-methylphenyl)thiophene?
2-(2-tert-butyl-5-methylphenyl)thiophene has a molecular weight of 230.38 g/mol, XLogP of 5.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-5-methylphenyl)thiophene is sourced from PubChem (CID 70251318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).