Basic information
- Standard SMILES
COc1cc(CCCCl)cc(OC)c1OC- InChIKey
YMFYOJMSWQLLQV-UHFFFAOYSA-N- Molecular formula
- C12H17ClO3
- Average molar mass
- 244.71 g/mol
Names & identifiers
- Preferred name
- 3-(3,4,5-Trimethoxyphenyl)propyl chloride
- IUPAC
- 5-(3-chloropropyl)-1,2,3-trimethoxybenzene
Names & synonyms
3-(3,4,5-trimethoxyphenyl)propyl chlorideNSC239318SCHEMBL9799524YMFYOJMSWQLLQV-UHFFFAOYSA-NNSC-239318
Database identifiers
- PubChem CID
- 315199
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 175
Related reactions
2 records
Compound notes
Loading…