[4-(3-Chloro-1-phenylpropoxy)-3-methylphenyl] acetate
Basic information
- Standard SMILES
CC(=O)Oc1ccc(OC(CCCl)c2ccccc2)c(C)c1- InChIKey
NJLMYROTVUNDSQ-UHFFFAOYSA-N- Molecular formula
- C18H19ClO3
- Average molar mass
- 318.8 g/mol
- Monoisotopic mass
- 318.1022722
Names & identifiers
- Preferred name
- [4-(3-Chloro-1-phenylpropoxy)-3-methylphenyl] acetate
- IUPAC
- [4-(3-chloro-1-phenylpropoxy)-3-methylphenyl] acetate
Database identifiers
- PubChem CID
- 77606366
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 341
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Related reactions
2 records
Compound notes
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