Basic information
- Standard SMILES
C#CCOc1c(OC)cc(C(=O)Cl)cc1OC- InChIKey
DJWYDJVTYUPYES-UHFFFAOYSA-N- Molecular formula
- C12H11ClO4
- Average molar mass
- 254.66 g/mol
Names & identifiers
- Preferred name
- 3,5-Dimethoxy-4-(2-propynyloxy)benzoyl chloride
- IUPAC
- 3,5-dimethoxy-4-prop-2-ynoxybenzoyl chloride
Names & synonyms
3,5-dimethoxy-4-(2-propynyloxy)benzoyl chlorideSCHEMBL2284030DJWYDJVTYUPYES-UHFFFAOYSA-N4-(2-propynyloxy)-3,5-dimethoxybenzoyl chloride
Database identifiers
- PubChem CID
- 57445669
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 295
Related reactions
17 records
Compound notes
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