7-methoxy-6-methyl-1-benzothiophene-2-carbaldehyde

C11H10O2S — CID 131196372

IUPAC7-methoxy-6-methyl-1-benzothiophene-2-carbaldehyde
SMILESCOc1c(C)ccc2cc(C=O)sc12
InChIInChI=1S/C11H10O2S/c1-7-3-4-8-5-9(6-12)14-11(8)10(7)13-2/h3-6H,1-2H3
InChIKeyOFHUURFBMYDTMD-UHFFFAOYSA-N
MW206.27 g/mol
LogP3.03
Rot. Bonds2

About 7-methoxy-6-methyl-1-benzothiophene-2-carbaldehyde

7-methoxy-6-methyl-1-benzothiophene-2-carbaldehyde (PubChem CID 131196372) has the molecular formula C11H10O2S and a molecular weight of 206.27 g/mol. Its IUPAC name is 7-methoxy-6-methyl-1-benzothiophene-2-carbaldehyde.

Molecular Properties

Compound Name7-methoxy-6-methyl-1-benzothiophene-2-carbaldehyde
PubChem CID131196372
Molecular FormulaC11H10O2S
Molecular Weight206.27 g/mol
Exact Mass206.04
IUPAC Name7-methoxy-6-methyl-1-benzothiophene-2-carbaldehyde
SMILESCOc1c(C)ccc2cc(C=O)sc12
InChIInChI=1S/C11H10O2S/c1-7-3-4-8-5-9(6-12)14-11(8)10(7)13-2/h3-6H,1-2H3
InChIKeyOFHUURFBMYDTMD-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

4-iodo-7-methyl-1-benzothiophene-2-carbaldehyde
CID 130985887
7-chloro-6-hydroxy-1-benzothiophene-2-carbaldehyde
CID 130926436
15-methoxy-5,9,14,18-tetrathiapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaene-6-carbaldehyde
CID 87693403
6-hydroxy-7-(hydroxymethyl)-1-benzothiophene-2-carbaldehyde
CID 131145574
2-methoxy-6-(methoxymethoxy)-3-methylbenzaldehyde
CID 86226921
6-amino-7-(bromomethyl)-1-benzothiophene-2-carbaldehyde
CID 131098336
5-[5-(5-methoxy-3-methylthiophen-2-yl)thiophen-2-yl]-4-methylthiophene-2-carbaldehyde
CID 122502646
7-fluoro-2-formyl-1-benzothiophene-6-carbonitrile
CID 130926562
5-fluoro-6-methoxy-1-benzothiophene-7-carbaldehyde
CID 130941216
6-chlorothieno[2,3-b]pyridine-2-carbaldehyde;methanol
CID 177202395
7-fluoro-2-methoxy-1-benzothiophene-6-carbaldehyde
CID 131215370
potassium trifluoro-(2-formyl-1-benzothiophen-7-yl)boranuide
CID 167729198

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-6-methyl-1-benzothiophene-2-carbaldehyde?
The IUPAC name of 7-methoxy-6-methyl-1-benzothiophene-2-carbaldehyde (CID 131196372) is 7-methoxy-6-methyl-1-benzothiophene-2-carbaldehyde.
What is the SMILES notation for 7-methoxy-6-methyl-1-benzothiophene-2-carbaldehyde?
The canonical SMILES for 7-methoxy-6-methyl-1-benzothiophene-2-carbaldehyde is COc1c(C)ccc2cc(C=O)sc12.
What is the InChIKey of 7-methoxy-6-methyl-1-benzothiophene-2-carbaldehyde?
The InChIKey is OFHUURFBMYDTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2S/c1-7-3-4-8-5-9(6-12)14-11(8)10(7)13-2/h3-6H,1-2H3.
What are the key properties of 7-methoxy-6-methyl-1-benzothiophene-2-carbaldehyde?
7-methoxy-6-methyl-1-benzothiophene-2-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 7-methoxy-6-methyl-1-benzothiophene-2-carbaldehyde is sourced from PubChem (CID 131196372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).