Basic information
- Standard SMILES
COc1cccc(OC)c1-c1ccc(C(=O)OCc2ccccc2)c(OCc2ccccc2)c1- InChIKey
OCIGKNLJSSRLQO-UHFFFAOYSA-N- Molecular formula
- C29H26O5
- Average molar mass
- 454.5 g/mol
- Monoisotopic mass
- 454.17802393
Names & identifiers
- Preferred name
- 4-(2',6'-Dimethoxyphenyl)-2-benzyloxy-benzoic acid, benzyl ester
- IUPAC
- benzyl 4-(2,6-dimethoxyphenyl)-2-phenylmethoxybenzoate
Names & synonyms
OCIGKNLJSSRLQO-UHFFFAOYSA-N4-(2',6'-dimethoxyphenyl)-2-benzyloxy-benzoic acid, benzyl ester
Database identifiers
- PubChem CID
- 86758136
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 585
Related reactions
2 records
Compound notes
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