Basic information
- Standard SMILES
O=C(O)C=Cc1cc(Br)ccc1OCc1ccccc1- InChIKey
KTQCYOABVYGDNK-UHFFFAOYSA-N- Molecular formula
- C16H13BrO3
- Average molar mass
- 333.18 g/mol
Names & identifiers
- Preferred name
- 3-(2-Benzyloxy-5-bromophenyl)-acrylic acid
- IUPAC
- 3-(5-bromo-2-phenylmethoxyphenyl)prop-2-enoic acid
Names & synonyms
SCHEMBL2167875KTQCYOABVYGDNK-UHFFFAOYSA-N3-(2-Benzyloxy-5-bromophenyl)-acrylic acid
Database identifiers
- PubChem CID
- 4663308
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 337
Related reactions
6 records
Compound notes
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