Diethyl 4-hydroxy-4-phenyl-1,3-butanedicarboxylate
Basic information
- Standard SMILES
CCOC(=O)CCC(C(=O)OCC)C(O)c1ccccc1- InChIKey
DVLTWRZZISSVBQ-UHFFFAOYSA-N- Molecular formula
- C16H22O5
- Average molar mass
- 294.34 g/mol
Names & identifiers
- Preferred name
- Diethyl 4-hydroxy-4-phenyl-1,3-butanedicarboxylate
- IUPAC
- diethyl 2-[hydroxy(phenyl)methyl]pentanedioate
Names & synonyms
SCHEMBL8128866DVLTWRZZISSVBQ-UHFFFAOYSA-Ndiethyl 4-hydroxy-4-phenyl-1,3-butanedicarboxylate
Database identifiers
- PubChem CID
- 19038618
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 323
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Related reactions
2 records
Compound notes
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