3-(2-thiophen-2-ylethoxy)benzaldehyde

C13H12O2S — CID 63775498

IUPAC3-(2-thiophen-2-ylethoxy)benzaldehyde
SMILESO=Cc1cccc(OCCc2cccs2)c1
InChIInChI=1S/C13H12O2S/c14-10-11-3-1-4-12(9-11)15-7-6-13-5-2-8-16-13/h1-5,8-10H,6-7H2
InChIKeyZGJRBKSAYIFRJH-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.18
Rot. Bonds5

About 3-(2-thiophen-2-ylethoxy)benzaldehyde

3-(2-thiophen-2-ylethoxy)benzaldehyde (PubChem CID 63775498) has the molecular formula C13H12O2S and a molecular weight of 232.30 g/mol. Its IUPAC name is 3-(2-thiophen-2-ylethoxy)benzaldehyde.

Molecular Properties

Compound Name3-(2-thiophen-2-ylethoxy)benzaldehyde
PubChem CID63775498
Molecular FormulaC13H12O2S
Molecular Weight232.30 g/mol
Exact Mass232.06
IUPAC Name3-(2-thiophen-2-ylethoxy)benzaldehyde
SMILESO=Cc1cccc(OCCc2cccs2)c1
InChIInChI=1S/C13H12O2S/c14-10-11-3-1-4-12(9-11)15-7-6-13-5-2-8-16-13/h1-5,8-10H,6-7H2
InChIKeyZGJRBKSAYIFRJH-UHFFFAOYSA-N
XLogP3.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(2-thiophen-2-ylethoxy)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-oxopropoxy)benzaldehyde
CID 63040628
3-fluoro-4-(2-thiophen-2-ylethoxy)benzaldehyde
CID 102670875
2-[2-(3-ethylphenoxy)ethyl]thiophene
CID 64764928
N-[[3-(2-thiophen-2-ylethoxy)phenyl]methyl]ethanamine
CID 63776029
3-(thiophen-2-ylmethyl)benzaldehyde
CID 154360412
3-(2-methylsulfanyloxyethoxy)benzaldehyde
CID 143732279
3-(3,3,3-trifluoropropoxy)benzaldehyde
CID 21071509
3-(3,3-difluoropropoxy)benzaldehyde
CID 83854624
4-(2-thiophen-2-ylethoxy)benzene-1,2-diamine
CID 106748443
3-(fluoromethoxy)benzaldehyde
CID 22718686
methanamine;3-(2-oxoethoxy)benzaldehyde
CID 169139038
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 87722471

Frequently Asked Questions

What is the IUPAC name of 3-(2-thiophen-2-ylethoxy)benzaldehyde?
The IUPAC name of 3-(2-thiophen-2-ylethoxy)benzaldehyde (CID 63775498) is 3-(2-thiophen-2-ylethoxy)benzaldehyde.
What is the SMILES notation for 3-(2-thiophen-2-ylethoxy)benzaldehyde?
The canonical SMILES for 3-(2-thiophen-2-ylethoxy)benzaldehyde is O=Cc1cccc(OCCc2cccs2)c1.
What is the InChIKey of 3-(2-thiophen-2-ylethoxy)benzaldehyde?
The InChIKey is ZGJRBKSAYIFRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2S/c14-10-11-3-1-4-12(9-11)15-7-6-13-5-2-8-16-13/h1-5,8-10H,6-7H2.
What are the key properties of 3-(2-thiophen-2-ylethoxy)benzaldehyde?
3-(2-thiophen-2-ylethoxy)benzaldehyde has a molecular weight of 232.30 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-thiophen-2-ylethoxy)benzaldehyde is sourced from PubChem (CID 63775498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).