Butyl 3-hydroxy-3-phenylpropanoate
Basic information
- CAS
20306-00-7- Standard SMILES
CCCCOC(=O)CC(O)c1ccccc1- InChIKey
TXJGYNFLJUSEJZ-UHFFFAOYSA-N- Molecular formula
- C13H18O3
- Average molar mass
- 222.28 g/mol
- Monoisotopic mass
- 222.12559443
Names & identifiers
- Preferred name
- Butyl 3-hydroxy-3-phenylpropanoate
- IUPAC
- butyl 3-hydroxy-3-phenylpropanoate
- English name
- NSC67911
- Molecular formula
- C13H18O3
- Molecular weight
- 222.28022
Names & synonyms
20306-00-7Benzenepropanoic acid, b-hydroxy-, butyl esterbutyl 3-hydroxy-3-phenylpropanoateNSC67911SCHEMBL27461469DTXSID20290305NSC-67911Butyl β-hydroxybenzenepropanoate
Database identifiers
- CAS
20306-00-7- PubChem CID
- 249509
- DTXSID
DTXSID20290305
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 197
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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