Basic information
- Standard SMILES
COc1ccc(/C=C/c2cccc(Cl)c2)c(C(=O)O)c1- InChIKey
AJBCYEYWRSGIRE-AATRIKPKSA-N- Molecular formula
- C16H13ClO3
- Average molar mass
- 288.72 g/mol
- Monoisotopic mass
- 288.055322
Names & identifiers
- Preferred name
- (E)-2-[2-(3-chlorophenyl)vinyl]-5-methoxybenzoic acid
- IUPAC
- 2-[(E)-2-(3-chlorophenyl)ethenyl]-5-methoxybenzoic acid
Names & synonyms
SCHEMBL1687390AJBCYEYWRSGIRE-AATRIKPKSA-N(E)-2-[2-(3-chlorophenyl)vinyl]-5-methoxybenzoic acid
Database identifiers
- PubChem CID
- 59684233
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 356
Related reactions
2 records
Compound notes
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