Basic information
- CAS
56800-33-0- Standard SMILES
CCCCCCCCOc1ccc(C(=O)Oc2ccc(C=O)cc2)cc1- InChIKey
WNLIPBFAERUTMA-UHFFFAOYSA-N- Molecular formula
- C22H26O4
- Average molar mass
- 354.4 g/mol
- Monoisotopic mass
- 354.18310931
Names & identifiers
- Preferred name
- 4-Formylphenyl 4-(octyloxy)benzoate
- IUPAC
- (4-formylphenyl) 4-octoxybenzoate
Names & synonyms
ST5097610256800-33-04-FORMYLPHENYL 4-(OCTYLOXY)BENZOATESCHEMBL93400864-formylphenyl 4-octyloxybenzoateDTXSID80399181WNLIPBFAERUTMA-UHFFFAOYSA-NAKOS0243514124-(4-octyloxyphenylcarbonyloxy)benzaldehyde4-Octyloxy-benzoic acid 4-formyl-phenyl ester
Database identifiers
- CAS
56800-33-0- PubChem CID
- 4089388
- DTXSID
DTXSID80399181- Nikkaji
- J896.141G
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 393
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical structure
Related reactions
1 records
Compound notes
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