4-[(2S)-2-Methylbutoxy]phenyl 4-(decyloxy)benzoate
Basic information
- CAS
74109-50-5- Standard SMILES
CCCCCCCCCCOc1ccc(C(=O)Oc2ccc(OC[C@@H](C)CC)cc2)cc1- InChIKey
CYQRPSZXZIHCSF-QHCPKHFHSA-N- Molecular formula
- C28H40O4
- Average molar mass
- 440.6 g/mol
- Monoisotopic mass
- 440.29265975
Names & identifiers
- Preferred name
- 4-[(2S)-2-Methylbutoxy]phenyl 4-(decyloxy)benzoate
- IUPAC
- [4-[(2S)-2-methylbutoxy]phenyl] 4-decoxybenzoate
Names & synonyms
4-[(2S)-2-Methylbutoxy]phenyl 4-(decyloxy)benzoateSCHEMBL9711808DTXSID10123046374109-50-5
Database identifiers
- CAS
74109-50-5- PubChem CID
- 13709751
- DTXSID
DTXSID101230463- Nikkaji
- J647.209E
Properties
Computed structural properties
- XLogP
- 9.5
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 17
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 464
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…