6-methoxy-4-methyl-1-benzothiophene-5-carbaldehyde

C11H10O2S — CID 130941192

IUPAC6-methoxy-4-methyl-1-benzothiophene-5-carbaldehyde
SMILESCOc1cc2sccc2c(C)c1C=O
InChIInChI=1S/C11H10O2S/c1-7-8-3-4-14-11(8)5-10(13-2)9(7)6-12/h3-6H,1-2H3
InChIKeyWVZRSPXABCCSBF-UHFFFAOYSA-N
MW206.27 g/mol
LogP3.03
Rot. Bonds2

About 6-methoxy-4-methyl-1-benzothiophene-5-carbaldehyde

6-methoxy-4-methyl-1-benzothiophene-5-carbaldehyde (PubChem CID 130941192) has the molecular formula C11H10O2S and a molecular weight of 206.27 g/mol. Its IUPAC name is 6-methoxy-4-methyl-1-benzothiophene-5-carbaldehyde.

Molecular Properties

Compound Name6-methoxy-4-methyl-1-benzothiophene-5-carbaldehyde
PubChem CID130941192
Molecular FormulaC11H10O2S
Molecular Weight206.27 g/mol
Exact Mass206.04
IUPAC Name6-methoxy-4-methyl-1-benzothiophene-5-carbaldehyde
SMILESCOc1cc2sccc2c(C)c1C=O
InChIInChI=1S/C11H10O2S/c1-7-8-3-4-14-11(8)5-10(13-2)9(7)6-12/h3-6H,1-2H3
InChIKeyWVZRSPXABCCSBF-UHFFFAOYSA-N
XLogP3.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,6-dimethoxy-4-methyl-1-benzothiophene
CID 131080478
5-iodo-7-methoxy-1-benzothiophene-4-carbaldehyde
CID 130821345
6-iodo-4-methoxy-1-benzothiophene-7-carbaldehyde
CID 130913388
5-iodo-6-methoxy-1-benzothiophen-4-amine
CID 130955850
4-methoxy-1-benzothiophene-5-carbaldehyde
CID 18542549
6-methoxy-5-methylsulfanyl-1-benzothiophene-4-thiol
CID 130971317
5-chloro-6-ethyl-1-benzothiophene-4-carbaldehyde
CID 130984991
4-ethyl-5-methyl-1-benzothiophene-6-carbaldehyde
CID 130816876
4-chloro-5-(chloromethyl)-6-methoxy-1-benzothiophene
CID 130839682
benzo[f][1]benzothiole-4-carbaldehyde
CID 14555865
5-ethoxy-4,6-dimethyl-1-benzothiophene
CID 130955667
ethyl 4-methoxy-1-benzothiophene-6-carboxylate
CID 11459009

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-methyl-1-benzothiophene-5-carbaldehyde?
The IUPAC name of 6-methoxy-4-methyl-1-benzothiophene-5-carbaldehyde (CID 130941192) is 6-methoxy-4-methyl-1-benzothiophene-5-carbaldehyde.
What is the SMILES notation for 6-methoxy-4-methyl-1-benzothiophene-5-carbaldehyde?
The canonical SMILES for 6-methoxy-4-methyl-1-benzothiophene-5-carbaldehyde is COc1cc2sccc2c(C)c1C=O.
What is the InChIKey of 6-methoxy-4-methyl-1-benzothiophene-5-carbaldehyde?
The InChIKey is WVZRSPXABCCSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2S/c1-7-8-3-4-14-11(8)5-10(13-2)9(7)6-12/h3-6H,1-2H3.
What are the key properties of 6-methoxy-4-methyl-1-benzothiophene-5-carbaldehyde?
6-methoxy-4-methyl-1-benzothiophene-5-carbaldehyde has a molecular weight of 206.27 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-methyl-1-benzothiophene-5-carbaldehyde is sourced from PubChem (CID 130941192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).