4-ethoxy-3-ethylbenzaldehyde

C11H14O2 — CID 53410104

IUPAC4-ethoxy-3-ethylbenzaldehyde
SMILESCCOc1ccc(C=O)cc1CC
InChIInChI=1S/C11H14O2/c1-3-10-7-9(8-12)5-6-11(10)13-4-2/h5-8H,3-4H2,1-2H3
InChIKeyLJZPWQSFLONTKK-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.46
Rot. Bonds4

About 4-ethoxy-3-ethylbenzaldehyde

4-ethoxy-3-ethylbenzaldehyde (PubChem CID 53410104) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-ethoxy-3-ethylbenzaldehyde.

Molecular Properties

Compound Name4-ethoxy-3-ethylbenzaldehyde
PubChem CID53410104
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name4-ethoxy-3-ethylbenzaldehyde
SMILESCCOc1ccc(C=O)cc1CC
InChIInChI=1S/C11H14O2/c1-3-10-7-9(8-12)5-6-11(10)13-4-2/h5-8H,3-4H2,1-2H3
InChIKeyLJZPWQSFLONTKK-UHFFFAOYSA-N
XLogP2.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-3-(piperidin-1-ium-1-ylmethyl)benzaldehyde
CID 7446885
3-[(2R)-butan-2-yl]-4-ethoxybenzaldehyde
CID 86324040
4-(2-ethoxy-4-formylphenoxy)-3-methoxybenzaldehyde
CID 174408807
3-[(4-ethoxyphenoxy)methyl]-4-(methoxymethoxy)benzaldehyde
CID 86235417
3-ethoxy-4-[6-(2-ethoxy-4-formylphenoxy)hex-3-enoxy]benzaldehyde
CID 168878587
3-[(4-ethoxyphenyl)methyl]-4-(methoxymethoxy)benzaldehyde
CID 86235410
3-ethoxy-4-hydroxybenzaldehyde;formic acid
CID 175904717
4-ethoxy-3-(1-hydroxyethoxy)benzaldehyde
CID 21404165
3-ethoxy-4-(2-methylprop-2-enoxy)benzaldehyde
CID 22343686
3-ethoxy-4-(1-oxopropan-2-yl)benzaldehyde
CID 134640111
3-ethoxy-4-[2-(2-prop-2-enylphenoxy)ethoxy]benzaldehyde
CID 2229149
3-ethoxy-4-(3-methylsulfanylpropoxy)benzaldehyde
CID 115650903

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-ethylbenzaldehyde?
The IUPAC name of 4-ethoxy-3-ethylbenzaldehyde (CID 53410104) is 4-ethoxy-3-ethylbenzaldehyde.
What is the SMILES notation for 4-ethoxy-3-ethylbenzaldehyde?
The canonical SMILES for 4-ethoxy-3-ethylbenzaldehyde is CCOc1ccc(C=O)cc1CC.
What is the InChIKey of 4-ethoxy-3-ethylbenzaldehyde?
The InChIKey is LJZPWQSFLONTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c1-3-10-7-9(8-12)5-6-11(10)13-4-2/h5-8H,3-4H2,1-2H3.
What are the key properties of 4-ethoxy-3-ethylbenzaldehyde?
4-ethoxy-3-ethylbenzaldehyde has a molecular weight of 178.23 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-ethylbenzaldehyde is sourced from PubChem (CID 53410104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).