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

C30H24O5S — CID 24818788

IUPAC2-(4-methoxyphenyl)-3-(2-thiophen-3-ylethynyl)-5-(3,4,5-trimethoxyphenyl)-1-benzofuran
SMILESCOc1ccc(-c2oc3ccc(-c4cc(OC)c(OC)c(OC)c4)cc3c2C#Cc2ccsc2)cc1
InChIInChI=1S/C30H24O5S/c1-31-23-9-6-20(7-10-23)29-24(11-5-19-13-14-36-18-19)25-15-21(8-12-26(25)35-29)22-16-27(32-2)30(34-4)28(17-22)33-3/h6-10,12-18H,1-4H3
InChIKeyMCGULAYFUFPZTQ-UHFFFAOYSA-N
MW496.58 g/mol
LogP7.26
Rot. Bonds6

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

2-(4-methoxyphenyl)-3-(2-thiophen-3-ylethynyl)-5-(3,4,5-trimethoxyphenyl)-1-benzofuran (PubChem CID 24818788) has the molecular formula C30H24O5S and a molecular weight of 496.58 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-3-(2-thiophen-3-ylethynyl)-5-(3,4,5-trimethoxyphenyl)-1-benzofuran.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-3-(2-thiophen-3-ylethynyl)-5-(3,4,5-trimethoxyphenyl)-1-benzofuran
PubChem CID24818788
Molecular FormulaC30H24O5S
Molecular Weight496.58 g/mol
Exact Mass496.13
IUPAC Name2-(4-methoxyphenyl)-3-(2-thiophen-3-ylethynyl)-5-(3,4,5-trimethoxyphenyl)-1-benzofuran
SMILESCOc1ccc(-c2oc3ccc(-c4cc(OC)c(OC)c(OC)c4)cc3c2C#Cc2ccsc2)cc1
InChIInChI=1S/C30H24O5S/c1-31-23-9-6-20(7-10-23)29-24(11-5-19-13-14-36-18-19)25-15-21(8-12-26(25)35-29)22-16-27(32-2)30(34-4)28(17-22)33-3/h6-10,12-18H,1-4H3
InChIKeyMCGULAYFUFPZTQ-UHFFFAOYSA-N
XLogP7.26
TPSA50.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.58
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(4-methoxyphenyl)-3-(2-thiophen-3-ylethynyl)-5-(3,4,5-trimethoxyphenyl)-1-benzofuran with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-3-(2-thiophen-3-ylethynyl)-5-(3,4,5-trimethoxyphenyl)-1-benzofuran?
The IUPAC name of 2-(4-methoxyphenyl)-3-(2-thiophen-3-ylethynyl)-5-(3,4,5-trimethoxyphenyl)-1-benzofuran (CID 24818788) is 2-(4-methoxyphenyl)-3-(2-thiophen-3-ylethynyl)-5-(3,4,5-trimethoxyphenyl)-1-benzofuran.
What is the SMILES notation for 2-(4-methoxyphenyl)-3-(2-thiophen-3-ylethynyl)-5-(3,4,5-trimethoxyphenyl)-1-benzofuran?
The canonical SMILES for 2-(4-methoxyphenyl)-3-(2-thiophen-3-ylethynyl)-5-(3,4,5-trimethoxyphenyl)-1-benzofuran is COc1ccc(-c2oc3ccc(-c4cc(OC)c(OC)c(OC)c4)cc3c2C#Cc2ccsc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-3-(2-thiophen-3-ylethynyl)-5-(3,4,5-trimethoxyphenyl)-1-benzofuran?
The InChIKey is MCGULAYFUFPZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24O5S/c1-31-23-9-6-20(7-10-23)29-24(11-5-19-13-14-36-18-19)25-15-21(8-12-26(25)35-29)22-16-27(32-2)30(34-4)28(17-22)33-3/h6-10,12-18H,1-4H3.
What are the key properties of 2-(4-methoxyphenyl)-3-(2-thiophen-3-ylethynyl)-5-(3,4,5-trimethoxyphenyl)-1-benzofuran?
2-(4-methoxyphenyl)-3-(2-thiophen-3-ylethynyl)-5-(3,4,5-trimethoxyphenyl)-1-benzofuran has a molecular weight of 496.58 g/mol, XLogP of 7.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-3-(2-thiophen-3-ylethynyl)-5-(3,4,5-trimethoxyphenyl)-1-benzofuran is sourced from PubChem (CID 24818788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).