2-(2,6-dimethylphenyl)-1-benzothiophene

C16H14S — CID 641356

IUPAC2-(2,6-dimethylphenyl)-1-benzothiophene
SMILESCc1cccc(C)c1-c1cc2ccccc2s1
InChIInChI=1S/C16H14S/c1-11-6-5-7-12(2)16(11)15-10-13-8-3-4-9-14(13)17-15/h3-10H,1-2H3
InChIKeySXIZXOGNOBIKPU-UHFFFAOYSA-N
MW238.36 g/mol
LogP5.19
Rot. Bonds1

About 2-(2,6-dimethylphenyl)-1-benzothiophene

2-(2,6-dimethylphenyl)-1-benzothiophene (PubChem CID 641356) has the molecular formula C16H14S and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-1-benzothiophene.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-1-benzothiophene
PubChem CID641356
Molecular FormulaC16H14S
Molecular Weight238.36 g/mol
Exact Mass238.08
IUPAC Name2-(2,6-dimethylphenyl)-1-benzothiophene
SMILESCc1cccc(C)c1-c1cc2ccccc2s1
InChIInChI=1S/C16H14S/c1-11-6-5-7-12(2)16(11)15-10-13-8-3-4-9-14(13)17-15/h3-10H,1-2H3
InChIKeySXIZXOGNOBIKPU-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.36
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-1-benzothiophene?
The IUPAC name of 2-(2,6-dimethylphenyl)-1-benzothiophene (CID 641356) is 2-(2,6-dimethylphenyl)-1-benzothiophene.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-1-benzothiophene?
The canonical SMILES for 2-(2,6-dimethylphenyl)-1-benzothiophene is Cc1cccc(C)c1-c1cc2ccccc2s1.
What is the InChIKey of 2-(2,6-dimethylphenyl)-1-benzothiophene?
The InChIKey is SXIZXOGNOBIKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14S/c1-11-6-5-7-12(2)16(11)15-10-13-8-3-4-9-14(13)17-15/h3-10H,1-2H3.
What are the key properties of 2-(2,6-dimethylphenyl)-1-benzothiophene?
2-(2,6-dimethylphenyl)-1-benzothiophene has a molecular weight of 238.36 g/mol, XLogP of 5.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-1-benzothiophene is sourced from PubChem (CID 641356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).