4-ethyl-3-hydroxy-1-benzothiophene-7-carbaldehyde

C11H10O2S — CID 130942152

IUPAC4-ethyl-3-hydroxy-1-benzothiophene-7-carbaldehyde
SMILESCCc1ccc(C=O)c2scc(O)c12
InChIInChI=1S/C11H10O2S/c1-2-7-3-4-8(5-12)11-10(7)9(13)6-14-11/h3-6,13H,2H2,1H3
InChIKeyKVDBIIQAZHAOHL-UHFFFAOYSA-N
MW206.27 g/mol
LogP2.98
Rot. Bonds2

About 4-ethyl-3-hydroxy-1-benzothiophene-7-carbaldehyde

4-ethyl-3-hydroxy-1-benzothiophene-7-carbaldehyde (PubChem CID 130942152) has the molecular formula C11H10O2S and a molecular weight of 206.27 g/mol. Its IUPAC name is 4-ethyl-3-hydroxy-1-benzothiophene-7-carbaldehyde.

Molecular Properties

Compound Name4-ethyl-3-hydroxy-1-benzothiophene-7-carbaldehyde
PubChem CID130942152
Molecular FormulaC11H10O2S
Molecular Weight206.27 g/mol
Exact Mass206.04
IUPAC Name4-ethyl-3-hydroxy-1-benzothiophene-7-carbaldehyde
SMILESCCc1ccc(C=O)c2scc(O)c12
InChIInChI=1S/C11H10O2S/c1-2-7-3-4-8(5-12)11-10(7)9(13)6-14-11/h3-6,13H,2H2,1H3
InChIKeyKVDBIIQAZHAOHL-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': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(chloromethyl)-3-hydroxy-1-benzothiophene-7-carbaldehyde
CID 131146675
3,7-dihydroxy-1-benzothiophene-4-carbaldehyde
CID 130839061
3-hydroxy-7-methylsulfanyl-1-benzothiophene-4-carbaldehyde
CID 130913579
7-bromo-3-ethyl-1-benzothiophene-4-carbaldehyde
CID 131053752
4-ethyl-3-sulfanyl-1-benzothiophen-7-ol
CID 131123131
2-(3,4-dihydroxy-1-benzothiophen-7-yl)acetic acid
CID 91292281
3-ethyl-7-fluoro-1-benzothiophene-6-carbaldehyde
CID 131218775
7-(hydroxymethyl)-1-benzothiophene-3,4-diol
CID 130803250
5-ethyl-4-hydroxy-1-benzothiophene-7-carbaldehyde
CID 130913439
3-hydroxy-4-sulfanyl-1-benzothiophene-5-carbaldehyde
CID 130913564
2,3-diethyl-4-hydroxybenzaldehyde
CID 88956337
7-ethyl-1-benzothiophene-3,5-diol
CID 130785990

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-hydroxy-1-benzothiophene-7-carbaldehyde?
The IUPAC name of 4-ethyl-3-hydroxy-1-benzothiophene-7-carbaldehyde (CID 130942152) is 4-ethyl-3-hydroxy-1-benzothiophene-7-carbaldehyde.
What is the SMILES notation for 4-ethyl-3-hydroxy-1-benzothiophene-7-carbaldehyde?
The canonical SMILES for 4-ethyl-3-hydroxy-1-benzothiophene-7-carbaldehyde is CCc1ccc(C=O)c2scc(O)c12.
What is the InChIKey of 4-ethyl-3-hydroxy-1-benzothiophene-7-carbaldehyde?
The InChIKey is KVDBIIQAZHAOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2S/c1-2-7-3-4-8(5-12)11-10(7)9(13)6-14-11/h3-6,13H,2H2,1H3.
What are the key properties of 4-ethyl-3-hydroxy-1-benzothiophene-7-carbaldehyde?
4-ethyl-3-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 4-ethyl-3-hydroxy-1-benzothiophene-7-carbaldehyde is sourced from PubChem (CID 130942152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).