2-[(E)-2-(2-bromophenyl)ethenyl]-5-ethylthiophene

C14H13BrS — CID 135058451

IUPAC2-[(E)-2-(2-bromophenyl)ethenyl]-5-ethylthiophene
SMILESCCc1ccc(/C=C/c2ccccc2Br)s1
InChIInChI=1S/C14H13BrS/c1-2-12-9-10-13(16-12)8-7-11-5-3-4-6-14(11)15/h3-10H,2H2,1H3/b8-7+
InChIKeyBHCDVCMARFXYFW-BQYQJAHWSA-N
MW293.23 g/mol
LogP5.24
Rot. Bonds3

About 2-[(E)-2-(2-bromophenyl)ethenyl]-5-ethylthiophene

2-[(E)-2-(2-bromophenyl)ethenyl]-5-ethylthiophene (PubChem CID 135058451) has the molecular formula C14H13BrS and a molecular weight of 293.23 g/mol. Its IUPAC name is 2-[(E)-2-(2-bromophenyl)ethenyl]-5-ethylthiophene.

Molecular Properties

Compound Name2-[(E)-2-(2-bromophenyl)ethenyl]-5-ethylthiophene
PubChem CID135058451
Molecular FormulaC14H13BrS
Molecular Weight293.23 g/mol
Exact Mass291.99
IUPAC Name2-[(E)-2-(2-bromophenyl)ethenyl]-5-ethylthiophene
SMILESCCc1ccc(/C=C/c2ccccc2Br)s1
InChIInChI=1S/C14H13BrS/c1-2-12-9-10-13(16-12)8-7-11-5-3-4-6-14(11)15/h3-10H,2H2,1H3/b8-7+
InChIKeyBHCDVCMARFXYFW-BQYQJAHWSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.23
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-bromophenyl)ethenyl]-5-ethylthiophene?
The IUPAC name of 2-[(E)-2-(2-bromophenyl)ethenyl]-5-ethylthiophene (CID 135058451) is 2-[(E)-2-(2-bromophenyl)ethenyl]-5-ethylthiophene.
What is the SMILES notation for 2-[(E)-2-(2-bromophenyl)ethenyl]-5-ethylthiophene?
The canonical SMILES for 2-[(E)-2-(2-bromophenyl)ethenyl]-5-ethylthiophene is CCc1ccc(/C=C/c2ccccc2Br)s1.
What is the InChIKey of 2-[(E)-2-(2-bromophenyl)ethenyl]-5-ethylthiophene?
The InChIKey is BHCDVCMARFXYFW-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H13BrS/c1-2-12-9-10-13(16-12)8-7-11-5-3-4-6-14(11)15/h3-10H,2H2,1H3/b8-7+.
What are the key properties of 2-[(E)-2-(2-bromophenyl)ethenyl]-5-ethylthiophene?
2-[(E)-2-(2-bromophenyl)ethenyl]-5-ethylthiophene has a molecular weight of 293.23 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-bromophenyl)ethenyl]-5-ethylthiophene is sourced from PubChem (CID 135058451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).