Basic information
- Standard SMILES
CC(C)(C)OC(=O)CC(O)CCc1ccc(-c2ccccc2)cc1- InChIKey
YPPNVJXWEXSSHZ-UHFFFAOYSA-N- Molecular formula
- C21H26O3
- Average molar mass
- 326.4 g/mol
Names & identifiers
- Preferred name
- 5-Biphenyl-4-yl-3-hydroxy-pentanoic acid tert-butyl ester
- IUPAC
- tert-butyl 3-hydroxy-5-(4-phenylphenyl)pentanoate
Names & synonyms
SCHEMBL5613391YPPNVJXWEXSSHZ-UHFFFAOYSA-N5-Biphenyl-4-yl-3-hydroxy-pentanoic acid tert-butyl ester
Database identifiers
- PubChem CID
- 11624016
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 371
Related reactions
6 records
Compound notes
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