Basic information
- Standard SMILES
CCCCCCCOc1ccc(C(=O)Oc2ccc(C=O)c(OC)c2)cc1- InChIKey
BFEZVZBCRXRFGE-UHFFFAOYSA-N- Molecular formula
- C22H26O5
- Average molar mass
- 370.4 g/mol
Names & identifiers
- Preferred name
- 4-Formyl-3-methoxyphenyl 4-(heptyloxy)benzoate
- IUPAC
- (4-formyl-3-methoxyphenyl) 4-heptoxybenzoate
Names & synonyms
SCHEMBL14126162BFEZVZBCRXRFGE-UHFFFAOYSA-N4-formyl-3-methoxyphenyl 4-(heptyloxy)benzoate
Database identifiers
- PubChem CID
- 89253141
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 430
Related reactions
2 records
Compound notes
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