2-[(E)-but-1-enyl]-5-phenylthiophene

C14H14S — CID 70854669

IUPAC2-[(E)-but-1-enyl]-5-phenylthiophene
SMILESCC/C=C/c1ccc(-c2ccccc2)s1
InChIInChI=1S/C14H14S/c1-2-3-9-13-10-11-14(15-13)12-7-5-4-6-8-12/h3-11H,2H2,1H3/b9-3+
InChIKeyHRDBHANWFCFJAW-YCRREMRBSA-N
MW214.33 g/mol
LogP4.84
Rot. Bonds3

About 2-[(E)-but-1-enyl]-5-phenylthiophene

2-[(E)-but-1-enyl]-5-phenylthiophene (PubChem CID 70854669) has the molecular formula C14H14S and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-[(E)-but-1-enyl]-5-phenylthiophene.

Molecular Properties

Compound Name2-[(E)-but-1-enyl]-5-phenylthiophene
PubChem CID70854669
Molecular FormulaC14H14S
Molecular Weight214.33 g/mol
Exact Mass214.08
IUPAC Name2-[(E)-but-1-enyl]-5-phenylthiophene
SMILESCC/C=C/c1ccc(-c2ccccc2)s1
InChIInChI=1S/C14H14S/c1-2-3-9-13-10-11-14(15-13)12-7-5-4-6-8-12/h3-11H,2H2,1H3/b9-3+
InChIKeyHRDBHANWFCFJAW-YCRREMRBSA-N
XLogP4.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-but-1-enyl]-5-phenylthiophene?
The IUPAC name of 2-[(E)-but-1-enyl]-5-phenylthiophene (CID 70854669) is 2-[(E)-but-1-enyl]-5-phenylthiophene.
What is the SMILES notation for 2-[(E)-but-1-enyl]-5-phenylthiophene?
The canonical SMILES for 2-[(E)-but-1-enyl]-5-phenylthiophene is CC/C=C/c1ccc(-c2ccccc2)s1.
What is the InChIKey of 2-[(E)-but-1-enyl]-5-phenylthiophene?
The InChIKey is HRDBHANWFCFJAW-YCRREMRBSA-N. The full InChI is InChI=1S/C14H14S/c1-2-3-9-13-10-11-14(15-13)12-7-5-4-6-8-12/h3-11H,2H2,1H3/b9-3+.
What are the key properties of 2-[(E)-but-1-enyl]-5-phenylthiophene?
2-[(E)-but-1-enyl]-5-phenylthiophene has a molecular weight of 214.33 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-but-1-enyl]-5-phenylthiophene is sourced from PubChem (CID 70854669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).