2-ethoxy-5-thiophen-3-ylbenzaldehyde

C13H12O2S — CID 172650297

IUPAC2-ethoxy-5-thiophen-3-ylbenzaldehyde
SMILESCCOc1ccc(-c2ccsc2)cc1C=O
InChIInChI=1S/C13H12O2S/c1-2-15-13-4-3-10(7-12(13)8-14)11-5-6-16-9-11/h3-9H,2H2,1H3
InChIKeyQKOMGRIMCHPBSE-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.63
Rot. Bonds4

About 2-ethoxy-5-thiophen-3-ylbenzaldehyde

2-ethoxy-5-thiophen-3-ylbenzaldehyde (PubChem CID 172650297) has the molecular formula C13H12O2S and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-ethoxy-5-thiophen-3-ylbenzaldehyde.

Molecular Properties

Compound Name2-ethoxy-5-thiophen-3-ylbenzaldehyde
PubChem CID172650297
Molecular FormulaC13H12O2S
Molecular Weight232.30 g/mol
Exact Mass232.06
IUPAC Name2-ethoxy-5-thiophen-3-ylbenzaldehyde
SMILESCCOc1ccc(-c2ccsc2)cc1C=O
InChIInChI=1S/C13H12O2S/c1-2-15-13-4-3-10(7-12(13)8-14)11-5-6-16-9-11/h3-9H,2H2,1H3
InChIKeyQKOMGRIMCHPBSE-UHFFFAOYSA-N
XLogP3.63
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.63
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-thiophen-3-yl-2-(2,2,2-trifluoroethoxy)benzaldehyde
CID 172650305
2-ethoxy-5-sulfanylbenzaldehyde
CID 155017600
4-ethoxy-3-formylbenzoic acid
CID 40655849
2-ethoxy-5-hydrazinylbenzaldehyde
CID 131214024
(4-ethoxy-3-formylphenyl)-methylborinic acid
CID 89271667
(4-ethoxy-3-formylphenyl)-ethylborinic acid
CID 89271439
5-(3-chlorothiophen-2-yl)-2-methoxybenzaldehyde
CID 107360530
5-bromo-2-(thiophen-3-ylmethoxy)benzaldehyde
CID 43646173
5-ethoxy-2-(1,3-thiazol-4-ylmethoxy)benzaldehyde
CID 16769568
2-ethoxybenzaldehyde;hydrofluoride
CID 157329385
5-(3,5-dimethylphenyl)-2-phenylmethoxybenzaldehyde
CID 172650078
3-ethoxynaphthalene-2-carbaldehyde
CID 131351894

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-thiophen-3-ylbenzaldehyde?
The IUPAC name of 2-ethoxy-5-thiophen-3-ylbenzaldehyde (CID 172650297) is 2-ethoxy-5-thiophen-3-ylbenzaldehyde.
What is the SMILES notation for 2-ethoxy-5-thiophen-3-ylbenzaldehyde?
The canonical SMILES for 2-ethoxy-5-thiophen-3-ylbenzaldehyde is CCOc1ccc(-c2ccsc2)cc1C=O.
What is the InChIKey of 2-ethoxy-5-thiophen-3-ylbenzaldehyde?
The InChIKey is QKOMGRIMCHPBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2S/c1-2-15-13-4-3-10(7-12(13)8-14)11-5-6-16-9-11/h3-9H,2H2,1H3.
What are the key properties of 2-ethoxy-5-thiophen-3-ylbenzaldehyde?
2-ethoxy-5-thiophen-3-ylbenzaldehyde has a molecular weight of 232.30 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-thiophen-3-ylbenzaldehyde is sourced from PubChem (CID 172650297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).