4-Butylphenyl 4-(heptyloxy)benzoate
Basic information
- CAS
62716-70-5- Standard SMILES
CCCCCCCOc1ccc(C(=O)Oc2ccc(CCCC)cc2)cc1- InChIKey
BALGPDYALLJTFD-UHFFFAOYSA-N- Molecular formula
- C24H32O3
- Average molar mass
- 368.5 g/mol
- Monoisotopic mass
- 368.23514488
Names & identifiers
- Preferred name
- 4-Butylphenyl 4-(heptyloxy)benzoate
- IUPAC
- (4-butylphenyl) 4-heptoxybenzoate
Names & synonyms
62716-70-54-BUTYLPHENYL 4-(HEPTYLOXY)BENZOATEDTXSID00805855
Database identifiers
- CAS
62716-70-5- PubChem CID
- 71383545
- DTXSID
DTXSID00805855
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 13
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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