2-thiophen-3-yl-5-(3,4,5-trimethoxyphenyl)-1-benzofuran

C21H18O4S — CID 24747935

IUPAC2-thiophen-3-yl-5-(3,4,5-trimethoxyphenyl)-1-benzofuran
SMILESCOc1cc(-c2ccc3oc(-c4ccsc4)cc3c2)cc(OC)c1OC
InChIInChI=1S/C21H18O4S/c1-22-19-9-15(10-20(23-2)21(19)24-3)13-4-5-17-16(8-13)11-18(25-17)14-6-7-26-12-14/h4-12H,1-3H3
InChIKeyQHQZCNZLKMMYTJ-UHFFFAOYSA-N
MW366.44 g/mol
LogP5.85
Rot. Bonds5

About 2-thiophen-3-yl-5-(3,4,5-trimethoxyphenyl)-1-benzofuran

2-thiophen-3-yl-5-(3,4,5-trimethoxyphenyl)-1-benzofuran (PubChem CID 24747935) has the molecular formula C21H18O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-thiophen-3-yl-5-(3,4,5-trimethoxyphenyl)-1-benzofuran.

Molecular Properties

Compound Name2-thiophen-3-yl-5-(3,4,5-trimethoxyphenyl)-1-benzofuran
PubChem CID24747935
Molecular FormulaC21H18O4S
Molecular Weight366.44 g/mol
Exact Mass366.09
IUPAC Name2-thiophen-3-yl-5-(3,4,5-trimethoxyphenyl)-1-benzofuran
SMILESCOc1cc(-c2ccc3oc(-c4ccsc4)cc3c2)cc(OC)c1OC
InChIInChI=1S/C21H18O4S/c1-22-19-9-15(10-20(23-2)21(19)24-3)13-4-5-17-16(8-13)11-18(25-17)14-6-7-26-12-14/h4-12H,1-3H3
InChIKeyQHQZCNZLKMMYTJ-UHFFFAOYSA-N
XLogP5.85
TPSA40.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.44
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-yl-5-(3,4,5-trimethoxyphenyl)-1-benzofuran?
The IUPAC name of 2-thiophen-3-yl-5-(3,4,5-trimethoxyphenyl)-1-benzofuran (CID 24747935) is 2-thiophen-3-yl-5-(3,4,5-trimethoxyphenyl)-1-benzofuran.
What is the SMILES notation for 2-thiophen-3-yl-5-(3,4,5-trimethoxyphenyl)-1-benzofuran?
The canonical SMILES for 2-thiophen-3-yl-5-(3,4,5-trimethoxyphenyl)-1-benzofuran is COc1cc(-c2ccc3oc(-c4ccsc4)cc3c2)cc(OC)c1OC.
What is the InChIKey of 2-thiophen-3-yl-5-(3,4,5-trimethoxyphenyl)-1-benzofuran?
The InChIKey is QHQZCNZLKMMYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O4S/c1-22-19-9-15(10-20(23-2)21(19)24-3)13-4-5-17-16(8-13)11-18(25-17)14-6-7-26-12-14/h4-12H,1-3H3.
What are the key properties of 2-thiophen-3-yl-5-(3,4,5-trimethoxyphenyl)-1-benzofuran?
2-thiophen-3-yl-5-(3,4,5-trimethoxyphenyl)-1-benzofuran has a molecular weight of 366.44 g/mol, XLogP of 5.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-yl-5-(3,4,5-trimethoxyphenyl)-1-benzofuran is sourced from PubChem (CID 24747935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).