3,5-Diethoxy-4-fluoro-benzaldehyde

HCID 59128273

Notes Reactions

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Basic information

Standard SMILES: CCOc1cc(C=O)cc(OCC)c1F
InChIKey: HOMRAVAJFJLQLJ-UHFFFAOYSA-N
Molecular formula: C11H13FO3
Average molar mass: 212.22 g/mol

Names & identifiers

Preferred name: 3,5-Diethoxy-4-fluoro-benzaldehyde
IUPAC: 3,5-diethoxy-4-fluorobenzaldehyde

Names & synonyms

SCHEMBL1121407HOMRAVAJFJLQLJ-UHFFFAOYSA-N3,5-Diethoxy-4-fluoro-benzaldehyde

Database identifiers

PubChem CID: 59128273

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 15
Formal charge: 0
Complexity: 182

Related reactions

45 records

New reaction record

HRID 116146As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 187755As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 197289As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 214746As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 287727As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 288524As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 502384As productuspto-grants-2010_08

HRID 502387As reactantuspto-grants-2010_08

Compound notes

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