5-(5-methylfuran-2-yl)-3-(4-methylsulfanylphenyl)-1-benzofuran

C20H16O2S — CID 45482758

IUPAC5-(5-methylfuran-2-yl)-3-(4-methylsulfanylphenyl)-1-benzofuran
SMILESCSc1ccc(-c2coc3ccc(-c4ccc(C)o4)cc23)cc1
InChIInChI=1S/C20H16O2S/c1-13-3-9-19(22-13)15-6-10-20-17(11-15)18(12-21-20)14-4-7-16(23-2)8-5-14/h3-12H,1-2H3
InChIKeyLHBMMNZBMMULHH-UHFFFAOYSA-N
MW320.41 g/mol
LogP6.39
Rot. Bonds3

About 5-(5-methylfuran-2-yl)-3-(4-methylsulfanylphenyl)-1-benzofuran

5-(5-methylfuran-2-yl)-3-(4-methylsulfanylphenyl)-1-benzofuran (PubChem CID 45482758) has the molecular formula C20H16O2S and a molecular weight of 320.41 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)-3-(4-methylsulfanylphenyl)-1-benzofuran.

Molecular Properties

Compound Name5-(5-methylfuran-2-yl)-3-(4-methylsulfanylphenyl)-1-benzofuran
PubChem CID45482758
Molecular FormulaC20H16O2S
Molecular Weight320.41 g/mol
Exact Mass320.09
IUPAC Name5-(5-methylfuran-2-yl)-3-(4-methylsulfanylphenyl)-1-benzofuran
SMILESCSc1ccc(-c2coc3ccc(-c4ccc(C)o4)cc23)cc1
InChIInChI=1S/C20H16O2S/c1-13-3-9-19(22-13)15-6-10-20-17(11-15)18(12-21-20)14-4-7-16(23-2)8-5-14/h3-12H,1-2H3
InChIKeyLHBMMNZBMMULHH-UHFFFAOYSA-N
XLogP6.39
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.41
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(5-methylfuran-2-yl)-3-(4-methylsulfanylphenyl)-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 5-(5-methylfuran-2-yl)-3-(4-methylsulfanylphenyl)-1-benzofuran?
The IUPAC name of 5-(5-methylfuran-2-yl)-3-(4-methylsulfanylphenyl)-1-benzofuran (CID 45482758) is 5-(5-methylfuran-2-yl)-3-(4-methylsulfanylphenyl)-1-benzofuran.
What is the SMILES notation for 5-(5-methylfuran-2-yl)-3-(4-methylsulfanylphenyl)-1-benzofuran?
The canonical SMILES for 5-(5-methylfuran-2-yl)-3-(4-methylsulfanylphenyl)-1-benzofuran is CSc1ccc(-c2coc3ccc(-c4ccc(C)o4)cc23)cc1.
What is the InChIKey of 5-(5-methylfuran-2-yl)-3-(4-methylsulfanylphenyl)-1-benzofuran?
The InChIKey is LHBMMNZBMMULHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O2S/c1-13-3-9-19(22-13)15-6-10-20-17(11-15)18(12-21-20)14-4-7-16(23-2)8-5-14/h3-12H,1-2H3.
What are the key properties of 5-(5-methylfuran-2-yl)-3-(4-methylsulfanylphenyl)-1-benzofuran?
5-(5-methylfuran-2-yl)-3-(4-methylsulfanylphenyl)-1-benzofuran has a molecular weight of 320.41 g/mol, XLogP of 6.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-2-yl)-3-(4-methylsulfanylphenyl)-1-benzofuran is sourced from PubChem (CID 45482758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).