3-ethoxy-2-[(5-ethylthiophen-2-yl)methoxy]benzaldehyde

C16H18O3S — CID 43174566

IUPAC3-ethoxy-2-[(5-ethylthiophen-2-yl)methoxy]benzaldehyde
SMILESCCOc1cccc(C=O)c1OCc1ccc(CC)s1
InChIInChI=1S/C16H18O3S/c1-3-13-8-9-14(20-13)11-19-16-12(10-17)6-5-7-15(16)18-4-2/h5-10H,3-4,11H2,1-2H3
InChIKeyXZXWGKGLOXHFNR-UHFFFAOYSA-N
MW290.38 g/mol
LogP4.10
Rot. Bonds7

About 3-ethoxy-2-[(5-ethylthiophen-2-yl)methoxy]benzaldehyde

3-ethoxy-2-[(5-ethylthiophen-2-yl)methoxy]benzaldehyde (PubChem CID 43174566) has the molecular formula C16H18O3S and a molecular weight of 290.38 g/mol. Its IUPAC name is 3-ethoxy-2-[(5-ethylthiophen-2-yl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-ethoxy-2-[(5-ethylthiophen-2-yl)methoxy]benzaldehyde
PubChem CID43174566
Molecular FormulaC16H18O3S
Molecular Weight290.38 g/mol
Exact Mass290.10
IUPAC Name3-ethoxy-2-[(5-ethylthiophen-2-yl)methoxy]benzaldehyde
SMILESCCOc1cccc(C=O)c1OCc1ccc(CC)s1
InChIInChI=1S/C16H18O3S/c1-3-13-8-9-14(20-13)11-19-16-12(10-17)6-5-7-15(16)18-4-2/h5-10H,3-4,11H2,1-2H3
InChIKeyXZXWGKGLOXHFNR-UHFFFAOYSA-N
XLogP4.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(chloromethyl)-6-ethoxyphenoxy]methyl]-5-ethylthiophene
CID 43366790
3-ethoxy-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde
CID 43366478
2-[(3-bromophenyl)methoxy]-3-ethoxybenzaldehyde
CID 43174574
3-ethoxy-2-(3-ethoxypropoxy)benzaldehyde
CID 65175736
3-ethoxy-2-(pyridin-3-ylmethoxy)benzaldehyde
CID 16769491
2-[(E)-3-chloroprop-2-enoxy]-3-ethoxybenzaldehyde
CID 43366499
3-ethoxy-2-(2-methylprop-2-enoxy)benzaldehyde
CID 43174565
ethane;2-ethoxy-3-phenylmethoxybenzaldehyde
CID 143384365
2-ethoxybenzene-1,3-dicarbaldehyde
CID 15757941
2-[(2-ethoxy-6-formylphenoxy)methyl]benzonitrile
CID 43366521
3-(2-ethoxy-6-formylphenoxy)propanoic acid
CID 63950736
2-(2-chloroprop-2-enoxy)-3-ethoxybenzaldehyde
CID 43366496

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-[(5-ethylthiophen-2-yl)methoxy]benzaldehyde?
The IUPAC name of 3-ethoxy-2-[(5-ethylthiophen-2-yl)methoxy]benzaldehyde (CID 43174566) is 3-ethoxy-2-[(5-ethylthiophen-2-yl)methoxy]benzaldehyde.
What is the SMILES notation for 3-ethoxy-2-[(5-ethylthiophen-2-yl)methoxy]benzaldehyde?
The canonical SMILES for 3-ethoxy-2-[(5-ethylthiophen-2-yl)methoxy]benzaldehyde is CCOc1cccc(C=O)c1OCc1ccc(CC)s1.
What is the InChIKey of 3-ethoxy-2-[(5-ethylthiophen-2-yl)methoxy]benzaldehyde?
The InChIKey is XZXWGKGLOXHFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O3S/c1-3-13-8-9-14(20-13)11-19-16-12(10-17)6-5-7-15(16)18-4-2/h5-10H,3-4,11H2,1-2H3.
What are the key properties of 3-ethoxy-2-[(5-ethylthiophen-2-yl)methoxy]benzaldehyde?
3-ethoxy-2-[(5-ethylthiophen-2-yl)methoxy]benzaldehyde has a molecular weight of 290.38 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-[(5-ethylthiophen-2-yl)methoxy]benzaldehyde is sourced from PubChem (CID 43174566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).