3-Ethoxy-4-(1-ethylpropoxy)benzaldehyde

HCID 59128271

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CCOc1cc(C=O)ccc1OC(CC)CC
InChIKey: AERHYKZDBBCHNH-UHFFFAOYSA-N
Molecular formula: C14H20O3
Average molar mass: 236.31 g/mol

Names & identifiers

Preferred name: 3-Ethoxy-4-(1-ethylpropoxy)benzaldehyde
IUPAC: 3-ethoxy-4-pentan-3-yloxybenzaldehyde

Names & synonyms

3-ethoxy-4-(1-ethylpropoxy)benzaldehydeSCHEMBL1748352AERHYKZDBBCHNH-UHFFFAOYSA-NAKOS017974672909853-97-03-Ethoxy-4-(1-ethyl-propoxy)-benzaldehydeDB-204602

Database identifiers

PubChem CID: 59128271

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 17
Formal charge: 0
Complexity: 214

Related reactions

11 records

New reaction record

HRID 185337As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 502365As reactantuspto-grants-2010_08

HRID 547923As productuspto-grants-2011_05

HRID 913124As productuspto-grants-2011_09

HRID 1715130As productuspto-grants-2010_09

HRID 1990813As productuspto-grants-2010_01

HRID 2151195As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2242994As productuspto-grants-2010_03

Compound notes

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