5-(3,4-Dimethoxyphenyl)furan-2-carbaldehyde

HCID 12374957

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 62427-25-2
Standard SMILES: COc1ccc(-c2ccc(C=O)o2)cc1OC
InChIKey: QUAFUHXEWQBUNU-UHFFFAOYSA-N
Molecular formula: C13H12O4
Average molar mass: 232.23 g/mol
Monoisotopic mass: 232.07355886

Names & identifiers

Preferred name: 5-(3,4-Dimethoxyphenyl)furan-2-carbaldehyde
IUPAC: 5-(3,4-dimethoxyphenyl)furan-2-carbaldehyde

Names & synonyms

62427-25-25-(3,4-Dimethoxyphenyl)furan-2-carbaldehyde2-Furancarboxaldehyde, 5-(3,4-dimethoxyphenyl)-SCHEMBL6385751DTXSID70495040QUAFUHXEWQBUNU-UHFFFAOYSA-N5-(3,4-Dimethoxyphenyl)furaldehyde5-(3,4-dimethoxyphenyl)-2-furaldehyde

Database identifiers

CAS: 62427-25-2
PubChem CID: 12374957
DTXSID: DTXSID70495040

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 48.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 256

Related reactions

4 records

New reaction record

HRID 171514As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 1759146As productuspto-grants-1982_07

HRID 1759147As reactantuspto-grants-1982_07

HRID 2312107As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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