2-[2-(2-methylphenyl)ethenyl]-1-benzothiophene

C17H14S — CID 71414689

IUPAC2-[2-(2-methylphenyl)ethenyl]-1-benzothiophene
SMILESCc1ccccc1C=Cc1cc2ccccc2s1
InChIInChI=1S/C17H14S/c1-13-6-2-3-7-14(13)10-11-16-12-15-8-4-5-9-17(15)18-16/h2-12H,1H3
InChIKeyUNNXYURYELZNTK-UHFFFAOYSA-N
MW250.37 g/mol
LogP5.38
Rot. Bonds2

About 2-[2-(2-methylphenyl)ethenyl]-1-benzothiophene

2-[2-(2-methylphenyl)ethenyl]-1-benzothiophene (PubChem CID 71414689) has the molecular formula C17H14S and a molecular weight of 250.37 g/mol. Its IUPAC name is 2-[2-(2-methylphenyl)ethenyl]-1-benzothiophene.

Molecular Properties

Compound Name2-[2-(2-methylphenyl)ethenyl]-1-benzothiophene
PubChem CID71414689
Molecular FormulaC17H14S
Molecular Weight250.37 g/mol
Exact Mass250.08
IUPAC Name2-[2-(2-methylphenyl)ethenyl]-1-benzothiophene
SMILESCc1ccccc1C=Cc1cc2ccccc2s1
InChIInChI=1S/C17H14S/c1-13-6-2-3-7-14(13)10-11-16-12-15-8-4-5-9-17(15)18-16/h2-12H,1H3
InChIKeyUNNXYURYELZNTK-UHFFFAOYSA-N
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.37
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylphenyl)ethenyl]-1-benzothiophene?
The IUPAC name of 2-[2-(2-methylphenyl)ethenyl]-1-benzothiophene (CID 71414689) is 2-[2-(2-methylphenyl)ethenyl]-1-benzothiophene.
What is the SMILES notation for 2-[2-(2-methylphenyl)ethenyl]-1-benzothiophene?
The canonical SMILES for 2-[2-(2-methylphenyl)ethenyl]-1-benzothiophene is Cc1ccccc1C=Cc1cc2ccccc2s1.
What is the InChIKey of 2-[2-(2-methylphenyl)ethenyl]-1-benzothiophene?
The InChIKey is UNNXYURYELZNTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14S/c1-13-6-2-3-7-14(13)10-11-16-12-15-8-4-5-9-17(15)18-16/h2-12H,1H3.
What are the key properties of 2-[2-(2-methylphenyl)ethenyl]-1-benzothiophene?
2-[2-(2-methylphenyl)ethenyl]-1-benzothiophene has a molecular weight of 250.37 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylphenyl)ethenyl]-1-benzothiophene is sourced from PubChem (CID 71414689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).