4-methoxy-1-benzothiophene-2,3-dicarbaldehyde

C11H8O3S — CID 155577490

IUPAC4-methoxy-1-benzothiophene-2,3-dicarbaldehyde
SMILESCOc1cccc2sc(C=O)c(C=O)c12
InChIInChI=1S/C11H8O3S/c1-14-8-3-2-4-9-11(8)7(5-12)10(6-13)15-9/h2-6H,1H3
InChIKeyXGCNPUBAVJWEDY-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.53
Rot. Bonds3

About 4-methoxy-1-benzothiophene-2,3-dicarbaldehyde

4-methoxy-1-benzothiophene-2,3-dicarbaldehyde (PubChem CID 155577490) has the molecular formula C11H8O3S and a molecular weight of 220.25 g/mol. Its IUPAC name is 4-methoxy-1-benzothiophene-2,3-dicarbaldehyde.

Molecular Properties

Compound Name4-methoxy-1-benzothiophene-2,3-dicarbaldehyde
PubChem CID155577490
Molecular FormulaC11H8O3S
Molecular Weight220.25 g/mol
Exact Mass220.02
IUPAC Name4-methoxy-1-benzothiophene-2,3-dicarbaldehyde
SMILESCOc1cccc2sc(C=O)c(C=O)c12
InChIInChI=1S/C11H8O3S/c1-14-8-3-2-4-9-11(8)7(5-12)10(6-13)15-9/h2-6H,1H3
InChIKeyXGCNPUBAVJWEDY-UHFFFAOYSA-N
XLogP2.53
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methoxy-1-benzothiophene-2,3-dicarbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

3-bromo-4-methoxy-1-benzothiophene-2-carbaldehyde
CID 130901126
4-fluoro-3-methoxy-1-benzothiophene-2-carbaldehyde
CID 130941215
2-fluoro-3,4-dimethoxy-1-benzothiophene
CID 130786112
3-chloro-4-methoxy-1-benzothiophene-2-thiol
CID 130969943
2,6-dimethoxybenzaldehyde;4-hydroxybenzaldehyde
CID 159655150
3-chloro-4-methoxy-1-benzothiophen-2-amine
CID 130884124
3-fluoro-4-iodo-1-benzothiophene-2-carbaldehyde
CID 131219098
ethene;2-hydroxy-3-methoxybenzaldehyde
CID 175162627
4-hydroxy-3-methylsulfanyl-1-benzothiophene-2-carbaldehyde
CID 130985907
3-methoxy-4,5-dimethyl-1-benzothiophene-2-carbaldehyde
CID 96607938
2-formyl-3-methoxybenzonitrile
CID 122401577
2-(dimethoxymethyl)-6-methoxybenzaldehyde
CID 10443088

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-benzothiophene-2,3-dicarbaldehyde?
The IUPAC name of 4-methoxy-1-benzothiophene-2,3-dicarbaldehyde (CID 155577490) is 4-methoxy-1-benzothiophene-2,3-dicarbaldehyde.
What is the SMILES notation for 4-methoxy-1-benzothiophene-2,3-dicarbaldehyde?
The canonical SMILES for 4-methoxy-1-benzothiophene-2,3-dicarbaldehyde is COc1cccc2sc(C=O)c(C=O)c12.
What is the InChIKey of 4-methoxy-1-benzothiophene-2,3-dicarbaldehyde?
The InChIKey is XGCNPUBAVJWEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8O3S/c1-14-8-3-2-4-9-11(8)7(5-12)10(6-13)15-9/h2-6H,1H3.
What are the key properties of 4-methoxy-1-benzothiophene-2,3-dicarbaldehyde?
4-methoxy-1-benzothiophene-2,3-dicarbaldehyde has a molecular weight of 220.25 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-benzothiophene-2,3-dicarbaldehyde is sourced from PubChem (CID 155577490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).