Basic information
- CAS
58687-92-6- Standard SMILES
CCC(OC(=O)c1ccccc1)c1ccccc1- InChIKey
XCHIHJDABCLLEG-UHFFFAOYSA-N- Molecular formula
- C16H16O2
- Average molar mass
- 240.3 g/mol
- Monoisotopic mass
- 240.11502975
Names & identifiers
- Preferred name
- 1-Phenylpropyl benzoate
- IUPAC
- 1-phenylpropyl benzoate
Names & synonyms
1-phenylpropyl benzoate58687-92-6DTXSID10324542RefChem:233277DTXCID40275659NSC406967SCHEMBL3817682Benzoic acid, 1-phenylpropyl esterNSC-406967
Database identifiers
- CAS
58687-92-6- PubChem CID
- 347995
- DTXSID
DTXSID10324542- Nikkaji
- J167.561C
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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