2-[4-(4-but-3-enylphenyl)phenyl]thiophene

C20H18S — CID 142376993

IUPAC2-[4-(4-but-3-enylphenyl)phenyl]thiophene
SMILESC=CCCc1ccc(-c2ccc(-c3cccs3)cc2)cc1
InChIInChI=1S/C20H18S/c1-2-3-5-16-7-9-17(10-8-16)18-11-13-19(14-12-18)20-6-4-15-21-20/h2,4,6-15H,1,3,5H2
InChIKeySQCHNKIAWFOSEX-UHFFFAOYSA-N
MW290.43 g/mol
LogP6.20
Rot. Bonds5

About 2-[4-(4-but-3-enylphenyl)phenyl]thiophene

2-[4-(4-but-3-enylphenyl)phenyl]thiophene (PubChem CID 142376993) has the molecular formula C20H18S and a molecular weight of 290.43 g/mol. Its IUPAC name is 2-[4-(4-but-3-enylphenyl)phenyl]thiophene.

Molecular Properties

Compound Name2-[4-(4-but-3-enylphenyl)phenyl]thiophene
PubChem CID142376993
Molecular FormulaC20H18S
Molecular Weight290.43 g/mol
Exact Mass290.11
IUPAC Name2-[4-(4-but-3-enylphenyl)phenyl]thiophene
SMILESC=CCCc1ccc(-c2ccc(-c3cccs3)cc2)cc1
InChIInChI=1S/C20H18S/c1-2-3-5-16-7-9-17(10-8-16)18-11-13-19(14-12-18)20-6-4-15-21-20/h2,4,6-15H,1,3,5H2
InChIKeySQCHNKIAWFOSEX-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.43
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-but-3-enylphenyl)phenyl]thiophene?
The IUPAC name of 2-[4-(4-but-3-enylphenyl)phenyl]thiophene (CID 142376993) is 2-[4-(4-but-3-enylphenyl)phenyl]thiophene.
What is the SMILES notation for 2-[4-(4-but-3-enylphenyl)phenyl]thiophene?
The canonical SMILES for 2-[4-(4-but-3-enylphenyl)phenyl]thiophene is C=CCCc1ccc(-c2ccc(-c3cccs3)cc2)cc1.
What is the InChIKey of 2-[4-(4-but-3-enylphenyl)phenyl]thiophene?
The InChIKey is SQCHNKIAWFOSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18S/c1-2-3-5-16-7-9-17(10-8-16)18-11-13-19(14-12-18)20-6-4-15-21-20/h2,4,6-15H,1,3,5H2.
What are the key properties of 2-[4-(4-but-3-enylphenyl)phenyl]thiophene?
2-[4-(4-but-3-enylphenyl)phenyl]thiophene has a molecular weight of 290.43 g/mol, XLogP of 6.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-but-3-enylphenyl)phenyl]thiophene is sourced from PubChem (CID 142376993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).