Basic information
- Standard SMILES
C=CC(=O)OCCCCOCC(O)COc1ccc(C(=O)c2ccccc2)cc1- InChIKey
XQSLKDDPMDFEQB-UHFFFAOYSA-N- Molecular formula
- C23H26O6
- Average molar mass
- 398.4 g/mol
Names & identifiers
- Preferred name
- Acrylic acid 4-[3-(4-benzoyl-phenoxy)-2-hydroxy-propoxy]butyl ester
- IUPAC
- 4-[3-(4-benzoylphenoxy)-2-hydroxypropoxy]butyl prop-2-enoate
Names & synonyms
SCHEMBL12380021XQSLKDDPMDFEQB-UHFFFAOYSA-Nacrylic acid 4-[3-(4-benzoyl-phenoxy)-2-hydroxy-propoxy]butyl ester
Database identifiers
- PubChem CID
- 58325536
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 82.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 14
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 492
Related reactions
2 records
Compound notes
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