5-Fluoro-2-[2-(4-methoxyphenyl)ethenyl]benzaldehyde

HCID 76577985

Notes Reactions

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Basic information

Standard SMILES: COc1ccc(C=Cc2ccc(F)cc2C=O)cc1
InChIKey: UJOLWBAGGTWWQB-UHFFFAOYSA-N
Molecular formula: C16H13FO2
Average molar mass: 256.27 g/mol
Monoisotopic mass: 256.08995782

Names & identifiers

Preferred name: 5-Fluoro-2-[2-(4-methoxyphenyl)ethenyl]benzaldehyde
IUPAC: 5-fluoro-2-[2-(4-methoxyphenyl)ethenyl]benzaldehyde

Names & synonyms

SCHEMBL2290866

Database identifiers

PubChem CID: 76577985

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 19
Formal charge: 0
Complexity: 308

Related reactions

2 records

New reaction record

HRID 116423 reaction equation

HRID 116423As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 2152772 reaction equation

HRID 2152772As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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5-Fluoro-2-[2-(4-methoxyphenyl)ethenyl]benzaldehyde (HCID 76577985)｜Huagongshe