2-Fluoro-6-hydroxy-4-(3-thienylmethoxy)benzaldehyde

HCID 22010372

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=Cc1c(O)cc(OCc2ccsc2)cc1F
InChIKey: HOLQTNRUZVZTGM-UHFFFAOYSA-N
Molecular formula: C12H9FO3S
Average molar mass: 252.26 g/mol

Names & identifiers

Preferred name: 2-Fluoro-6-hydroxy-4-(3-thienylmethoxy)benzaldehyde
IUPAC: 2-fluoro-6-hydroxy-4-(thiophen-3-ylmethoxy)benzaldehyde

Names & synonyms

SCHEMBL7914222HOLQTNRUZVZTGM-UHFFFAOYSA-N2-fluoro-6-hydroxy-4-(3-thienylmethoxy)benzaldehyde6-fluoro-2-hydroxy-4-(3-thienylmethoxy)benzaldehyde

Database identifiers

PubChem CID: 22010372

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 74.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 264

Related reactions

4 records

New reaction record

HRID 322986 reaction equation

HRID 322986As reactantuspto-grants-2001_04

HRID 322987 reaction equation

HRID 322987As productuspto-grants-2001_04

HRID 1542704 reaction equation

HRID 1542704As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2340377 reaction equation

HRID 2340377As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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2-Fluoro-6-hydroxy-4-(3-thienylmethoxy)benzaldehyde (HCID 22010372)｜Huagongshe