2-(4-prop-1-en-2-ylphenyl)-5-thiophen-2-ylthiophene

C17H14S2 — CID 139982091

IUPAC2-(4-prop-1-en-2-ylphenyl)-5-thiophen-2-ylthiophene
SMILESC=C(C)c1ccc(-c2ccc(-c3cccs3)s2)cc1
InChIInChI=1S/C17H14S2/c1-12(2)13-5-7-14(8-6-13)15-9-10-17(19-15)16-4-3-11-18-16/h3-11H,1H2,2H3
InChIKeyWRIMERLYWUCIQQ-UHFFFAOYSA-N
MW282.43 g/mol
LogP6.18
Rot. Bonds3

About 2-(4-prop-1-en-2-ylphenyl)-5-thiophen-2-ylthiophene

2-(4-prop-1-en-2-ylphenyl)-5-thiophen-2-ylthiophene (PubChem CID 139982091) has the molecular formula C17H14S2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2-(4-prop-1-en-2-ylphenyl)-5-thiophen-2-ylthiophene.

Molecular Properties

Compound Name2-(4-prop-1-en-2-ylphenyl)-5-thiophen-2-ylthiophene
PubChem CID139982091
Molecular FormulaC17H14S2
Molecular Weight282.43 g/mol
Exact Mass282.05
IUPAC Name2-(4-prop-1-en-2-ylphenyl)-5-thiophen-2-ylthiophene
SMILESC=C(C)c1ccc(-c2ccc(-c3cccs3)s2)cc1
InChIInChI=1S/C17H14S2/c1-12(2)13-5-7-14(8-6-13)15-9-10-17(19-15)16-4-3-11-18-16/h3-11H,1H2,2H3
InChIKeyWRIMERLYWUCIQQ-UHFFFAOYSA-N
XLogP6.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-prop-1-en-2-ylphenyl)-5-thiophen-2-ylthiophene?
The IUPAC name of 2-(4-prop-1-en-2-ylphenyl)-5-thiophen-2-ylthiophene (CID 139982091) is 2-(4-prop-1-en-2-ylphenyl)-5-thiophen-2-ylthiophene.
What is the SMILES notation for 2-(4-prop-1-en-2-ylphenyl)-5-thiophen-2-ylthiophene?
The canonical SMILES for 2-(4-prop-1-en-2-ylphenyl)-5-thiophen-2-ylthiophene is C=C(C)c1ccc(-c2ccc(-c3cccs3)s2)cc1.
What is the InChIKey of 2-(4-prop-1-en-2-ylphenyl)-5-thiophen-2-ylthiophene?
The InChIKey is WRIMERLYWUCIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14S2/c1-12(2)13-5-7-14(8-6-13)15-9-10-17(19-15)16-4-3-11-18-16/h3-11H,1H2,2H3.
What are the key properties of 2-(4-prop-1-en-2-ylphenyl)-5-thiophen-2-ylthiophene?
2-(4-prop-1-en-2-ylphenyl)-5-thiophen-2-ylthiophene has a molecular weight of 282.43 g/mol, XLogP of 6.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-prop-1-en-2-ylphenyl)-5-thiophen-2-ylthiophene is sourced from PubChem (CID 139982091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).