Basic information
- Standard SMILES
COC(=O)c1ccc(O)c(C(=O)OCc2ccccc2)c1- InChIKey
DGYWAJXCNXZJDK-UHFFFAOYSA-N- Molecular formula
- C16H14O5
- Average molar mass
- 286.28 g/mol
- Monoisotopic mass
- 286.08412354
Names & identifiers
- Preferred name
- 3-Benzyl 1-methyl 4-hydroxyisophthalate
- IUPAC
- 3-O-benzyl 1-O-methyl 4-hydroxybenzene-1,3-dicarboxylate
Names & synonyms
SCHEMBL14059325DGYWAJXCNXZJDK-UHFFFAOYSA-N3-Benzyl 1-methyl 4-hydroxyisophthalate
Database identifiers
- PubChem CID
- 71061017
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 362
Related reactions
1 records
Compound notes
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