3-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-1-benzothiophene

C23H20O3S — CID 24818799

IUPAC3-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-1-benzothiophene
SMILESCOc1ccc(-c2c(-c3ccccc3OC)sc3ccccc23)cc1OC
InChIInChI=1S/C23H20O3S/c1-24-18-10-6-4-8-16(18)23-22(17-9-5-7-11-21(17)27-23)15-12-13-19(25-2)20(14-15)26-3/h4-14H,1-3H3
InChIKeyFVAUSXFNUAQDDS-UHFFFAOYSA-N
MW376.48 g/mol
LogP6.26
Rot. Bonds5

About 3-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-1-benzothiophene

3-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-1-benzothiophene (PubChem CID 24818799) has the molecular formula C23H20O3S and a molecular weight of 376.48 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-1-benzothiophene.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-1-benzothiophene
PubChem CID24818799
Molecular FormulaC23H20O3S
Molecular Weight376.48 g/mol
Exact Mass376.11
IUPAC Name3-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-1-benzothiophene
SMILESCOc1ccc(-c2c(-c3ccccc3OC)sc3ccccc23)cc1OC
InChIInChI=1S/C23H20O3S/c1-24-18-10-6-4-8-16(18)23-22(17-9-5-7-11-21(17)27-23)15-12-13-19(25-2)20(14-15)26-3/h4-14H,1-3H3
InChIKeyFVAUSXFNUAQDDS-UHFFFAOYSA-N
XLogP6.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-1-benzothiophene 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 3-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-1-benzothiophene?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-1-benzothiophene (CID 24818799) is 3-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-1-benzothiophene.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-1-benzothiophene?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-1-benzothiophene is COc1ccc(-c2c(-c3ccccc3OC)sc3ccccc23)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-1-benzothiophene?
The InChIKey is FVAUSXFNUAQDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O3S/c1-24-18-10-6-4-8-16(18)23-22(17-9-5-7-11-21(17)27-23)15-12-13-19(25-2)20(14-15)26-3/h4-14H,1-3H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-1-benzothiophene?
3-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-1-benzothiophene has a molecular weight of 376.48 g/mol, XLogP of 6.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-1-benzothiophene is sourced from PubChem (CID 24818799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).