Basic information
- CAS
5463-23-0- Standard SMILES
COc1cc(C(=O)C(O)c2ccc(O)c(OC)c2)ccc1O- InChIKey
QUPJTPYPQZUQPY-UHFFFAOYSA-N- Molecular formula
- C16H16O6
- Average molar mass
- 304.29 g/mol
- Monoisotopic mass
- 304.09468823
Names & identifiers
- Preferred name
- Vanilloin
- IUPAC
- 2-hydroxy-1,2-bis(4-hydroxy-3-methoxyphenyl)ethanone
Names & synonyms
VanilloinMLS0026384995463-23-0NSC16725CHEMBL1864874SCHEMBL30393910HMS3095G12NSC-16725SMR001547973
Database identifiers
- CAS
5463-23-0- PubChem CID
- 226345
- ChEMBL
CHEMBL1864874
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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