Butyl 4'-hydroxy-3'-methoxycinnamate
Basic information
- CAS
4657-33-4- Standard SMILES
CCCCOC(=O)/C=C/c1ccc(O)c(OC)c1- InChIKey
JTQRZRRDNZAHMH-SOFGYWHQSA-N- Molecular formula
- C14H18O4
- Average molar mass
- 250.29 g/mol
Overview
Butyl 4'-hydroxy-3'-methoxycinnamate has been reported in Phellodendron chinense with data available.
Names & identifiers
- Preferred name
- Butyl 4'-hydroxy-3'-methoxycinnamate
- IUPAC
- butyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Names & synonyms
4657-33-4Butyl 4'-hydroxy-3'-methoxycinnamatebutyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoateEINECS 225-100-3RefChem:122212225-100-3Butyl Ferulaten-butyl ferulate1-ButylferulateCHEMBL2088766SCHEMBL189938422-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, butyl ester
Show more names
1-Butyl 4-hydroxy-3-methoxycinnamateFB136915DB-384850Butyl 3-(4-hydroxy-3-methoxyphenyl)acrylatebutyl (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoate
Database identifiers
- CAS
4657-33-4- PubChem CID
- 6437331
- ChEMBL
CHEMBL2088766- EC Number
- 225-100-3
- Nikkaji
- J297.874A、J729.909E
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 275
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: 2-Propenoic acid, 3-(4-hydroxy-3-methoxyphenyl)-, butyl ester
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Related reactions
1 records
Compound notes
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