2-[(2,4,6-trimethylphenyl)methyl]thiophene

C14H16S — CID 89464420

IUPAC2-[(2,4,6-trimethylphenyl)methyl]thiophene
SMILESCc1cc(C)c(Cc2cccs2)c(C)c1
InChIInChI=1S/C14H16S/c1-10-7-11(2)14(12(3)8-10)9-13-5-4-6-15-13/h4-8H,9H2,1-3H3
InChIKeySYJQIGHNSCQARH-UHFFFAOYSA-N
MW216.35 g/mol
LogP4.26
Rot. Bonds2

About 2-[(2,4,6-trimethylphenyl)methyl]thiophene

2-[(2,4,6-trimethylphenyl)methyl]thiophene (PubChem CID 89464420) has the molecular formula C14H16S and a molecular weight of 216.35 g/mol. Its IUPAC name is 2-[(2,4,6-trimethylphenyl)methyl]thiophene.

Molecular Properties

Compound Name2-[(2,4,6-trimethylphenyl)methyl]thiophene
PubChem CID89464420
Molecular FormulaC14H16S
Molecular Weight216.35 g/mol
Exact Mass216.10
IUPAC Name2-[(2,4,6-trimethylphenyl)methyl]thiophene
SMILESCc1cc(C)c(Cc2cccs2)c(C)c1
InChIInChI=1S/C14H16S/c1-10-7-11(2)14(12(3)8-10)9-13-5-4-6-15-13/h4-8H,9H2,1-3H3
InChIKeySYJQIGHNSCQARH-UHFFFAOYSA-N
XLogP4.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4,6-trimethylphenyl)methyl]thiophene?
The IUPAC name of 2-[(2,4,6-trimethylphenyl)methyl]thiophene (CID 89464420) is 2-[(2,4,6-trimethylphenyl)methyl]thiophene.
What is the SMILES notation for 2-[(2,4,6-trimethylphenyl)methyl]thiophene?
The canonical SMILES for 2-[(2,4,6-trimethylphenyl)methyl]thiophene is Cc1cc(C)c(Cc2cccs2)c(C)c1.
What is the InChIKey of 2-[(2,4,6-trimethylphenyl)methyl]thiophene?
The InChIKey is SYJQIGHNSCQARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16S/c1-10-7-11(2)14(12(3)8-10)9-13-5-4-6-15-13/h4-8H,9H2,1-3H3.
What are the key properties of 2-[(2,4,6-trimethylphenyl)methyl]thiophene?
2-[(2,4,6-trimethylphenyl)methyl]thiophene has a molecular weight of 216.35 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4,6-trimethylphenyl)methyl]thiophene is sourced from PubChem (CID 89464420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).