3-tert-butyl-2-[(E)-2-phenylethenyl]thiophene

C16H18S — CID 11218731

IUPAC3-tert-butyl-2-[(E)-2-phenylethenyl]thiophene
SMILESCC(C)(C)c1ccsc1/C=C/c1ccccc1
InChIInChI=1S/C16H18S/c1-16(2,3)14-11-12-17-15(14)10-9-13-7-5-4-6-8-13/h4-12H,1-3H3/b10-9+
InChIKeyLIGFVXRKCSUZPM-MDZDMXLPSA-N
MW242.39 g/mol
LogP5.22
Rot. Bonds2

About 3-tert-butyl-2-[(E)-2-phenylethenyl]thiophene

3-tert-butyl-2-[(E)-2-phenylethenyl]thiophene (PubChem CID 11218731) has the molecular formula C16H18S and a molecular weight of 242.39 g/mol. Its IUPAC name is 3-tert-butyl-2-[(E)-2-phenylethenyl]thiophene.

Molecular Properties

Compound Name3-tert-butyl-2-[(E)-2-phenylethenyl]thiophene
PubChem CID11218731
Molecular FormulaC16H18S
Molecular Weight242.39 g/mol
Exact Mass242.11
IUPAC Name3-tert-butyl-2-[(E)-2-phenylethenyl]thiophene
SMILESCC(C)(C)c1ccsc1/C=C/c1ccccc1
InChIInChI=1S/C16H18S/c1-16(2,3)14-11-12-17-15(14)10-9-13-7-5-4-6-8-13/h4-12H,1-3H3/b10-9+
InChIKeyLIGFVXRKCSUZPM-MDZDMXLPSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.39
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-tert-butyl-2-[(E)-2-phenylethenyl]thiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-phenylethenyl)-3-[2-(2-phenylethenyl)thiophen-3-yl]thiophene
CID 141452286
3-iodo-2-[(E)-2-phenylethenyl]thiophene
CID 135300234
2,6-ditert-butyl-4-[(E)-2-thiophen-2-ylethenyl]phenol
CID 14416570
CID 70567885
CID 70567885
CID 70569152
CID 70569152
1-[2,3-dimethyl-3-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]butan-2-yl]-4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 101407026
N,N-dimethylmethanamine;stilbene
CID 174368184
hydride;rubidium(1+);stilbene
CID 173437843
disodium;hydride;(E)-stilbene
CID 173089328
2,6-ditert-butyl-4-(3-phenylprop-2-enyl)phenol
CID 54063316
2-[2-[(E)-2-phenylethenyl]phenyl]propan-2-ol
CID 166436804
N-ethyl-4-[(E)-2-thiophen-2-ylethenyl]aniline
CID 89344655

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-[(E)-2-phenylethenyl]thiophene?
The IUPAC name of 3-tert-butyl-2-[(E)-2-phenylethenyl]thiophene (CID 11218731) is 3-tert-butyl-2-[(E)-2-phenylethenyl]thiophene.
What is the SMILES notation for 3-tert-butyl-2-[(E)-2-phenylethenyl]thiophene?
The canonical SMILES for 3-tert-butyl-2-[(E)-2-phenylethenyl]thiophene is CC(C)(C)c1ccsc1/C=C/c1ccccc1.
What is the InChIKey of 3-tert-butyl-2-[(E)-2-phenylethenyl]thiophene?
The InChIKey is LIGFVXRKCSUZPM-MDZDMXLPSA-N. The full InChI is InChI=1S/C16H18S/c1-16(2,3)14-11-12-17-15(14)10-9-13-7-5-4-6-8-13/h4-12H,1-3H3/b10-9+.
What are the key properties of 3-tert-butyl-2-[(E)-2-phenylethenyl]thiophene?
3-tert-butyl-2-[(E)-2-phenylethenyl]thiophene has a molecular weight of 242.39 g/mol, XLogP of 5.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-[(E)-2-phenylethenyl]thiophene is sourced from PubChem (CID 11218731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).