3-chloro-7-methoxy-4-methyl-1-benzothiophene-2-carbaldehyde

C11H9ClO2S — CID 82387721

IUPAC3-chloro-7-methoxy-4-methyl-1-benzothiophene-2-carbaldehyde
SMILESCOc1ccc(C)c2c(Cl)c(C=O)sc12
InChIInChI=1S/C11H9ClO2S/c1-6-3-4-7(14-2)11-9(6)10(12)8(5-13)15-11/h3-5H,1-2H3
InChIKeyPSVPNPGNBISBIH-UHFFFAOYSA-N
MW240.71 g/mol
LogP3.68
Rot. Bonds2

About 3-chloro-7-methoxy-4-methyl-1-benzothiophene-2-carbaldehyde

3-chloro-7-methoxy-4-methyl-1-benzothiophene-2-carbaldehyde (PubChem CID 82387721) has the molecular formula C11H9ClO2S and a molecular weight of 240.71 g/mol. Its IUPAC name is 3-chloro-7-methoxy-4-methyl-1-benzothiophene-2-carbaldehyde.

Molecular Properties

Compound Name3-chloro-7-methoxy-4-methyl-1-benzothiophene-2-carbaldehyde
PubChem CID82387721
Molecular FormulaC11H9ClO2S
Molecular Weight240.71 g/mol
Exact Mass240.00
IUPAC Name3-chloro-7-methoxy-4-methyl-1-benzothiophene-2-carbaldehyde
SMILESCOc1ccc(C)c2c(Cl)c(C=O)sc12
InChIInChI=1S/C11H9ClO2S/c1-6-3-4-7(14-2)11-9(6)10(12)8(5-13)15-11/h3-5H,1-2H3
InChIKeyPSVPNPGNBISBIH-UHFFFAOYSA-N
XLogP3.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.71
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-chloro-7-methoxy-4-methyl-1-benzothiophene-2-carbaldehyde 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-chloro-7-methoxy-4-methyl-1H-indole-2-carbaldehyde
CID 82391920
2-chloro-6-methoxy-3-methylaniline
CID 84766117
7-methoxy-3,4-dimethyl-1H-indole-2-carbaldehyde
CID 82373470
3-fluoro-7-methoxy-4-methyl-1-benzothiophene
CID 130883958
3-methoxy-4,5-dimethyl-1-benzothiophene-2-carbaldehyde
CID 96607938
2-formyl-6-methoxy-3-methylbenzoyl chloride
CID 171022028
7-chloro-6-methoxy-2-methyl-1,3-benzothiazole
CID 134106377
4-(4-methoxy-3-propan-2-ylphenyl)-2-methyl-1,3-thiazole-5-carbaldehyde
CID 94699090
4-chloro-2-(5-chloro-2-methylphenoxy)-1,3-thiazole-5-carbaldehyde
CID 80688464
4-methoxy-3,7-dimethyl-1H-indole-2-carbaldehyde
CID 105455213
4-(5-bromo-2-methoxyphenyl)-2-methyl-1,3-thiazole-5-carbaldehyde
CID 82135444
7-methoxy-6-methyl-1-benzothiophene-2-carbaldehyde
CID 131196372

Frequently Asked Questions

What is the IUPAC name of 3-chloro-7-methoxy-4-methyl-1-benzothiophene-2-carbaldehyde?
The IUPAC name of 3-chloro-7-methoxy-4-methyl-1-benzothiophene-2-carbaldehyde (CID 82387721) is 3-chloro-7-methoxy-4-methyl-1-benzothiophene-2-carbaldehyde.
What is the SMILES notation for 3-chloro-7-methoxy-4-methyl-1-benzothiophene-2-carbaldehyde?
The canonical SMILES for 3-chloro-7-methoxy-4-methyl-1-benzothiophene-2-carbaldehyde is COc1ccc(C)c2c(Cl)c(C=O)sc12.
What is the InChIKey of 3-chloro-7-methoxy-4-methyl-1-benzothiophene-2-carbaldehyde?
The InChIKey is PSVPNPGNBISBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO2S/c1-6-3-4-7(14-2)11-9(6)10(12)8(5-13)15-11/h3-5H,1-2H3.
What are the key properties of 3-chloro-7-methoxy-4-methyl-1-benzothiophene-2-carbaldehyde?
3-chloro-7-methoxy-4-methyl-1-benzothiophene-2-carbaldehyde has a molecular weight of 240.71 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7-methoxy-4-methyl-1-benzothiophene-2-carbaldehyde is sourced from PubChem (CID 82387721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).