Ethyl 3-methyl-4-(4-formyl-2-methoxyphenoxy)-2-butenoate (HCID 54099897)

Substructure search Find similar structures

Basic information

Standard SMILES: CCOC(=O)C=C(C)COc1ccc(C=O)cc1OC
InChIKey: MZUXCKSTQUHRHP-UHFFFAOYSA-N
Molecular formula: C15H18O5
Average molar mass: 278.3 g/mol
Monoisotopic mass: 278.11542367

Names & identifiers

Preferred name: Ethyl 3-methyl-4-(4-formyl-2-methoxyphenoxy)-2-butenoate
IUPAC: ethyl 4-(4-formyl-2-methoxyphenoxy)-3-methylbut-2-enoate

Names & synonyms

SCHEMBL10803155MZUXCKSTQUHRHP-UHFFFAOYSA-Nethyl 3-methyl-4-(4-formyl-2-methoxyphenoxy)-2-butenoateethyl 3-methyl-4-(4-formyl-2-methoxyphenoxy)-2butenoate

Database identifiers

PubChem CID: 54099897

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 61.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 20
Formal charge: 0
Complexity: 350

Related reactions

5 records

New reaction record

HRID 543340As productuspto-grants-1987_04

HRID 543341As reactantuspto-grants-1987_04

HRID 543342As reactantuspto-grants-1987_04

HRID 821491As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1118652As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

Compound notes

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