5-ethyl-4-hydroxy-1-benzothiophene-7-carbaldehyde

C11H10O2S — CID 130913439

IUPAC5-ethyl-4-hydroxy-1-benzothiophene-7-carbaldehyde
SMILESCCc1cc(C=O)c2sccc2c1O
InChIInChI=1S/C11H10O2S/c1-2-7-5-8(6-12)11-9(10(7)13)3-4-14-11/h3-6,13H,2H2,1H3
InChIKeyWJFHZRLBSDWGIR-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.98
Rot. Bonds2

About 5-ethyl-4-hydroxy-1-benzothiophene-7-carbaldehyde

5-ethyl-4-hydroxy-1-benzothiophene-7-carbaldehyde (PubChem CID 130913439) has the molecular formula C11H10O2S and a molecular weight of 206.27 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-1-benzothiophene-7-carbaldehyde.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-1-benzothiophene-7-carbaldehyde
PubChem CID130913439
Molecular FormulaC11H10O2S
Molecular Weight206.27 g/mol
Exact Mass206.04
IUPAC Name5-ethyl-4-hydroxy-1-benzothiophene-7-carbaldehyde
SMILESCCc1cc(C=O)c2sccc2c1O
InChIInChI=1S/C11H10O2S/c1-2-7-5-8(6-12)11-9(10(7)13)3-4-14-11/h3-6,13H,2H2,1H3
InChIKeyWJFHZRLBSDWGIR-UHFFFAOYSA-N
XLogP2.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-ethyl-1-benzothiophene-7-carbaldehyde
CID 131030928
7-ethyl-4-methyl-1-benzothiophene-5-carbaldehyde
CID 131196397
4-ethyl-7-sulfanyl-1-benzothiophene-6-carbaldehyde
CID 131196622
4-ethyl-6-methyl-1-benzothiophen-7-ol
CID 131219308
7-amino-4-(hydroxymethyl)-1-benzothiophene-6-carbaldehyde
CID 130816485
6-amino-7-ethyl-1-benzothiophene-4-carbaldehyde
CID 130898262
4-bromo-7-(bromomethyl)-1-benzothiophene-5-carbaldehyde
CID 130925488
4-amino-7-hydroxy-1-benzothiophene-5-carbaldehyde
CID 130855197
7-bromo-5-ethyl-1-benzothiophen-6-ol
CID 130955960
6-hydroxy-7-sulfanyl-1-benzothiophene-4-carbaldehyde
CID 131124405
3-ethyl-2-hydroxy-5-methylbenzaldehyde
CID 123167289
4-ethyl-3-hydroxy-1-benzothiophene-7-carbaldehyde
CID 130942152

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-1-benzothiophene-7-carbaldehyde?
The IUPAC name of 5-ethyl-4-hydroxy-1-benzothiophene-7-carbaldehyde (CID 130913439) is 5-ethyl-4-hydroxy-1-benzothiophene-7-carbaldehyde.
What is the SMILES notation for 5-ethyl-4-hydroxy-1-benzothiophene-7-carbaldehyde?
The canonical SMILES for 5-ethyl-4-hydroxy-1-benzothiophene-7-carbaldehyde is CCc1cc(C=O)c2sccc2c1O.
What is the InChIKey of 5-ethyl-4-hydroxy-1-benzothiophene-7-carbaldehyde?
The InChIKey is WJFHZRLBSDWGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2S/c1-2-7-5-8(6-12)11-9(10(7)13)3-4-14-11/h3-6,13H,2H2,1H3.
What are the key properties of 5-ethyl-4-hydroxy-1-benzothiophene-7-carbaldehyde?
5-ethyl-4-hydroxy-1-benzothiophene-7-carbaldehyde has a molecular weight of 206.27 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-1-benzothiophene-7-carbaldehyde is sourced from PubChem (CID 130913439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).