4-[(3,5-dimethylphenoxy)methyl]-5-ethylthiophene-2-carbaldehyde

C16H18O2S — CID 19621684

IUPAC4-[(3,5-dimethylphenoxy)methyl]-5-ethylthiophene-2-carbaldehyde
SMILESCCc1sc(C=O)cc1COc1cc(C)cc(C)c1
InChIInChI=1S/C16H18O2S/c1-4-16-13(8-15(9-17)19-16)10-18-14-6-11(2)5-12(3)7-14/h5-9H,4,10H2,1-3H3
InChIKeyZHBZFCCTOZAZNZ-UHFFFAOYSA-N
MW274.38 g/mol
LogP4.32
Rot. Bonds5

About 4-[(3,5-dimethylphenoxy)methyl]-5-ethylthiophene-2-carbaldehyde

4-[(3,5-dimethylphenoxy)methyl]-5-ethylthiophene-2-carbaldehyde (PubChem CID 19621684) has the molecular formula C16H18O2S and a molecular weight of 274.38 g/mol. Its IUPAC name is 4-[(3,5-dimethylphenoxy)methyl]-5-ethylthiophene-2-carbaldehyde.

Molecular Properties

Compound Name4-[(3,5-dimethylphenoxy)methyl]-5-ethylthiophene-2-carbaldehyde
PubChem CID19621684
Molecular FormulaC16H18O2S
Molecular Weight274.38 g/mol
Exact Mass274.10
IUPAC Name4-[(3,5-dimethylphenoxy)methyl]-5-ethylthiophene-2-carbaldehyde
SMILESCCc1sc(C=O)cc1COc1cc(C)cc(C)c1
InChIInChI=1S/C16H18O2S/c1-4-16-13(8-15(9-17)19-16)10-18-14-6-11(2)5-12(3)7-14/h5-9H,4,10H2,1-3H3
InChIKeyZHBZFCCTOZAZNZ-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(3,5-dimethylphenoxy)methyl]-5-ethylthiophene-2-carbaldehyde 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

4-[(3,4-dimethylphenoxy)methyl]-5-ethylthiophene-2-carbaldehyde
CID 19621693
5-ethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]thiophene-2-carbaldehyde
CID 19621706
4-(diethylaminomethyl)-5-ethylthiophene-2-carbaldehyde
CID 96603752
5-(2,2-dimethylpropyl)-4-ethylthiophene-2-carbaldehyde
CID 96614199
4-[(4-chloropyrazol-1-yl)methyl]-5-ethylthiophene-2-carbaldehyde
CID 19621619
4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-5-ethylthiophene-2-carbaldehyde
CID 19621637
5-[(3,5-dimethylphenoxy)methyl]furan-2-carbaldehyde
CID 7019247
3-[(3-ethylphenyl)methoxy]-5-methylbenzaldehyde
CID 123229702
1,3-dimethyl-5-[(2-nitrophenyl)methoxy]benzene
CID 60627121
5-ethyl-4-phenylthiophene-2-carbaldehyde
CID 58438812
4-[(2-chlorophenoxy)methyl]-5-methylthiophene-2-carbaldehyde
CID 19621675
4-[(2-bromophenoxy)methyl]-5-methylthiophene-2-carbaldehyde
CID 726877

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylphenoxy)methyl]-5-ethylthiophene-2-carbaldehyde?
The IUPAC name of 4-[(3,5-dimethylphenoxy)methyl]-5-ethylthiophene-2-carbaldehyde (CID 19621684) is 4-[(3,5-dimethylphenoxy)methyl]-5-ethylthiophene-2-carbaldehyde.
What is the SMILES notation for 4-[(3,5-dimethylphenoxy)methyl]-5-ethylthiophene-2-carbaldehyde?
The canonical SMILES for 4-[(3,5-dimethylphenoxy)methyl]-5-ethylthiophene-2-carbaldehyde is CCc1sc(C=O)cc1COc1cc(C)cc(C)c1.
What is the InChIKey of 4-[(3,5-dimethylphenoxy)methyl]-5-ethylthiophene-2-carbaldehyde?
The InChIKey is ZHBZFCCTOZAZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O2S/c1-4-16-13(8-15(9-17)19-16)10-18-14-6-11(2)5-12(3)7-14/h5-9H,4,10H2,1-3H3.
What are the key properties of 4-[(3,5-dimethylphenoxy)methyl]-5-ethylthiophene-2-carbaldehyde?
4-[(3,5-dimethylphenoxy)methyl]-5-ethylthiophene-2-carbaldehyde has a molecular weight of 274.38 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylphenoxy)methyl]-5-ethylthiophene-2-carbaldehyde is sourced from PubChem (CID 19621684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).