Basic information
- Standard SMILES
COc1ccc(COc2ccc(C(=O)O)cc2Cl)cc1OC- InChIKey
ITBNCKPXQLFWFP-UHFFFAOYSA-N- Molecular formula
- C16H15ClO5
- Average molar mass
- 322.74 g/mol
Names & identifiers
- Preferred name
- 4-(3,4-Dimethoxybenzyloxy)-3-chlorobenzoic acid
- IUPAC
- 3-chloro-4-[(3,4-dimethoxyphenyl)methoxy]benzoic acid
Names & synonyms
SCHEMBL4273360ITBNCKPXQLFWFP-UHFFFAOYSA-N4-(3,4-Dimethoxybenzyloxy)-3-chlorobenzoic acid
Database identifiers
- PubChem CID
- 57796897
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 65 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 364
Related reactions
6 records
Compound notes
Loading…