3-methyl-2-(2,4,6-trimethylphenyl)thiophene

C14H16S — CID 18715831

IUPAC3-methyl-2-(2,4,6-trimethylphenyl)thiophene
SMILESCc1cc(C)c(-c2sccc2C)c(C)c1
InChIInChI=1S/C14H16S/c1-9-7-11(3)13(12(4)8-9)14-10(2)5-6-15-14/h5-8H,1-4H3
InChIKeyMGSLJQIDESHIJF-UHFFFAOYSA-N
MW216.35 g/mol
LogP4.65
Rot. Bonds1

About 3-methyl-2-(2,4,6-trimethylphenyl)thiophene

3-methyl-2-(2,4,6-trimethylphenyl)thiophene (PubChem CID 18715831) has the molecular formula C14H16S and a molecular weight of 216.35 g/mol. Its IUPAC name is 3-methyl-2-(2,4,6-trimethylphenyl)thiophene.

Molecular Properties

Compound Name3-methyl-2-(2,4,6-trimethylphenyl)thiophene
PubChem CID18715831
Molecular FormulaC14H16S
Molecular Weight216.35 g/mol
Exact Mass216.10
IUPAC Name3-methyl-2-(2,4,6-trimethylphenyl)thiophene
SMILESCc1cc(C)c(-c2sccc2C)c(C)c1
InChIInChI=1S/C14H16S/c1-9-7-11(3)13(12(4)8-9)14-10(2)5-6-15-14/h5-8H,1-4H3
InChIKeyMGSLJQIDESHIJF-UHFFFAOYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2,4,6-trimethylphenyl)thiophene?
The IUPAC name of 3-methyl-2-(2,4,6-trimethylphenyl)thiophene (CID 18715831) is 3-methyl-2-(2,4,6-trimethylphenyl)thiophene.
What is the SMILES notation for 3-methyl-2-(2,4,6-trimethylphenyl)thiophene?
The canonical SMILES for 3-methyl-2-(2,4,6-trimethylphenyl)thiophene is Cc1cc(C)c(-c2sccc2C)c(C)c1.
What is the InChIKey of 3-methyl-2-(2,4,6-trimethylphenyl)thiophene?
The InChIKey is MGSLJQIDESHIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16S/c1-9-7-11(3)13(12(4)8-9)14-10(2)5-6-15-14/h5-8H,1-4H3.
What are the key properties of 3-methyl-2-(2,4,6-trimethylphenyl)thiophene?
3-methyl-2-(2,4,6-trimethylphenyl)thiophene has a molecular weight of 216.35 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2,4,6-trimethylphenyl)thiophene is sourced from PubChem (CID 18715831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).