Basic information
- Standard SMILES
COc1ccc(COC(=O)CCCCl)cc1- InChIKey
DJESJIODSVAZCA-UHFFFAOYSA-N- Molecular formula
- C12H15ClO3
- Average molar mass
- 242.7 g/mol
Names & identifiers
- Preferred name
- 4-Methoxybenzyl 4-chlorobutyrate
- IUPAC
- (4-methoxyphenyl)methyl 4-chlorobutanoate
Names & synonyms
4-methoxybenzyl 4-chlorobutyrateSCHEMBL10687182DJESJIODSVAZCA-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 12425680
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 200
Related reactions
1 records
Compound notes
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