Basic information
- Standard SMILES
CCOC(=O)c1cc(OCCc2ccccc2)cc(Oc2ccc(C#N)cc2)c1- InChIKey
JVAVBIOEBHVDCV-UHFFFAOYSA-N- Molecular formula
- C24H21NO4
- Average molar mass
- 387.4 g/mol
Names & identifiers
- Preferred name
- 3-(4-Cyanophenoxy)-5-phenethyloxy benzoic acid ethyl ester
- IUPAC
- ethyl 3-(4-cyanophenoxy)-5-(2-phenylethoxy)benzoate
Names & synonyms
SCHEMBL851273JVAVBIOEBHVDCV-UHFFFAOYSA-N3-(4-Cyanophenoxy)-5-phenethyloxy benzoic acid ethyl ester3-(4-Cyano phenoxy)-5-phenethyloxy Benzoic Acid Ethyl Ester
Database identifiers
- PubChem CID
- 66818481
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 68.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 542
Related reactions
1 records
Compound notes
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