Butyl 4'-hydroxy-3'-methoxycinnamate

HCID 6437331CAS 4657-33-4
Substructure searchFind similar structures

Basic information

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

Safety & regulation

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
New reaction record

Linked notes

Loading…