Butyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Basic information
- CAS
4657-33-4- Standard SMILES
CCCCOC(=O)C=Cc1ccc(O)c(OC)c1- InChIKey
JTQRZRRDNZAHMH-UHFFFAOYSA-N- Molecular formula
- C14H18O4
- Average molar mass
- 250.29 g/mol
- Monoisotopic mass
- 250.12050905
Overview
butyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate has been reported in Phellodendron chinense with data available.
Names & identifiers
- Preferred name
- Butyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
- IUPAC
- butyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Names & synonyms
SCHEMBL8614691DTXSID401317446NS00047987butyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Database identifiers
- CAS
4657-33-4- PubChem CID
- 107571
- DTXSID
DTXSID401317446
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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