3-Hydroxy-5-(3-methoxyprop-1-enyl)benzaldehyde

HCID 76545841

Notes Reactions

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Basic information

Standard SMILES: COCC=Cc1cc(O)cc(C=O)c1
InChIKey: UBMFGSPAKDXXHX-UHFFFAOYSA-N
Molecular formula: C11H12O3
Average molar mass: 192.21 g/mol

Names & identifiers

Preferred name: 3-Hydroxy-5-(3-methoxyprop-1-enyl)benzaldehyde
IUPAC: 3-hydroxy-5-(3-methoxyprop-1-enyl)benzaldehyde

Names & synonyms

SCHEMBL662662

Database identifiers

PubChem CID: 76545841

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 201

Related reactions

2 records

New reaction record

HRID 213472 reaction equation

HRID 213472As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1233203 reaction equation

HRID 1233203As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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