methyl 2-(3,5-dimethoxyphenyl)-5-methoxy-1-benzothiophene-3-carboxylate

C19H18O5S — CID 25058319

IUPACmethyl 2-(3,5-dimethoxyphenyl)-5-methoxy-1-benzothiophene-3-carboxylate
SMILESCOC(=O)c1c(-c2cc(OC)cc(OC)c2)sc2ccc(OC)cc12
InChIInChI=1S/C19H18O5S/c1-21-12-5-6-16-15(10-12)17(19(20)24-4)18(25-16)11-7-13(22-2)9-14(8-11)23-3/h5-10H,1-4H3
InChIKeyZWASLCUAMWBSKD-UHFFFAOYSA-N
MW358.42 g/mol
LogP4.38
Rot. Bonds5

About methyl 2-(3,5-dimethoxyphenyl)-5-methoxy-1-benzothiophene-3-carboxylate

methyl 2-(3,5-dimethoxyphenyl)-5-methoxy-1-benzothiophene-3-carboxylate (PubChem CID 25058319) has the molecular formula C19H18O5S and a molecular weight of 358.42 g/mol. Its IUPAC name is methyl 2-(3,5-dimethoxyphenyl)-5-methoxy-1-benzothiophene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3,5-dimethoxyphenyl)-5-methoxy-1-benzothiophene-3-carboxylate
PubChem CID25058319
Molecular FormulaC19H18O5S
Molecular Weight358.42 g/mol
Exact Mass358.09
IUPAC Namemethyl 2-(3,5-dimethoxyphenyl)-5-methoxy-1-benzothiophene-3-carboxylate
SMILESCOC(=O)c1c(-c2cc(OC)cc(OC)c2)sc2ccc(OC)cc12
InChIInChI=1S/C19H18O5S/c1-21-12-5-6-16-15(10-12)17(19(20)24-4)18(25-16)11-7-13(22-2)9-14(8-11)23-3/h5-10H,1-4H3
InChIKeyZWASLCUAMWBSKD-UHFFFAOYSA-N
XLogP4.38
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-(3,5-dimethoxyphenyl)-5-methoxy-1-benzothiophene-3-carboxylate 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 methyl 2-(3,5-dimethoxyphenyl)-5-methoxy-1-benzothiophene-3-carboxylate?
The IUPAC name of methyl 2-(3,5-dimethoxyphenyl)-5-methoxy-1-benzothiophene-3-carboxylate (CID 25058319) is methyl 2-(3,5-dimethoxyphenyl)-5-methoxy-1-benzothiophene-3-carboxylate.
What is the SMILES notation for methyl 2-(3,5-dimethoxyphenyl)-5-methoxy-1-benzothiophene-3-carboxylate?
The canonical SMILES for methyl 2-(3,5-dimethoxyphenyl)-5-methoxy-1-benzothiophene-3-carboxylate is COC(=O)c1c(-c2cc(OC)cc(OC)c2)sc2ccc(OC)cc12.
What is the InChIKey of methyl 2-(3,5-dimethoxyphenyl)-5-methoxy-1-benzothiophene-3-carboxylate?
The InChIKey is ZWASLCUAMWBSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O5S/c1-21-12-5-6-16-15(10-12)17(19(20)24-4)18(25-16)11-7-13(22-2)9-14(8-11)23-3/h5-10H,1-4H3.
What are the key properties of methyl 2-(3,5-dimethoxyphenyl)-5-methoxy-1-benzothiophene-3-carboxylate?
methyl 2-(3,5-dimethoxyphenyl)-5-methoxy-1-benzothiophene-3-carboxylate has a molecular weight of 358.42 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,5-dimethoxyphenyl)-5-methoxy-1-benzothiophene-3-carboxylate is sourced from PubChem (CID 25058319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).