Basic information
- Standard SMILES
CCOC(=O)C1(COc2ccc(OCc3ccccc3)c(C)c2C)CC1- InChIKey
HMGVBNQUIYNAQW-UHFFFAOYSA-N- Molecular formula
- C22H26O4
- Average molar mass
- 354.4 g/mol
Names & identifiers
- Preferred name
- 1-(4-Benzyloxy-2,3-dimethyl-phenoxymethyl)-cyclopropanecarboxylic acid ethyl ester
- IUPAC
- ethyl 1-[(2,3-dimethyl-4-phenylmethoxyphenoxy)methyl]cyclopropane-1-carboxylate
Names & synonyms
SCHEMBL4472716HMGVBNQUIYNAQW-UHFFFAOYSA-N1-(4-benzyloxy-2,3-dimethyl-phenoxymethyl)-cyclopropanecarboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 69056629
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 453
Related reactions
4 records
Compound notes
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