1-Phenyl-1-propen-2-OL benzoate
Basic information
- CAS
5351-09-7- Standard SMILES
C/C(=C/c1ccccc1)OC(=O)c1ccccc1- InChIKey
IMUXWXAOTBKDLR-SEYXRHQNSA-N- Molecular formula
- C16H14O2
- Average molar mass
- 238.28 g/mol
- Monoisotopic mass
- 238.09937969
Names & identifiers
- Preferred name
- 1-Phenyl-1-propen-2-OL benzoate
- IUPAC
- [(Z)-1-phenylprop-1-en-2-yl] benzoate
Names & synonyms
5351-09-71-PHENYL-1-PROPEN-2-OL BENZOATENSC100NSC-100
Database identifiers
- CAS
5351-09-7- PubChem CID
- 5924935
- Nikkaji
- J3.617.924D
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 294
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Compound notes
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