Basic information
- Standard SMILES
COC(=O)C(CCCCl)c1ccccc1- InChIKey
VLYUCFSIRDACMR-UHFFFAOYSA-N- Molecular formula
- C12H15ClO2
- Average molar mass
- 226.7 g/mol
Names & identifiers
- Preferred name
- Methyl 5-chloro-2-phenylpentanoate
- IUPAC
- methyl 5-chloro-2-phenylpentanoate
Names & synonyms
SCHEMBL1533272VLYUCFSIRDACMR-UHFFFAOYSA-Nmethyl 5-chloro-2-phenylpentanoate
Database identifiers
- PubChem CID
- 67067286
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 188
Related reactions
8 records
Compound notes
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