Octadecanoic acid, 2-phenoxy-
Basic information
- CAS
68764-69-2- Standard SMILES
CCCCCCCCCCCCCCCCC(Oc1ccccc1)C(=O)O- InChIKey
LTKOHFVYDMREPG-UHFFFAOYSA-N- Molecular formula
- C24H40O3
- Average molar mass
- 376.6 g/mol
- Monoisotopic mass
- 376.29774513
Names & identifiers
- Preferred name
- Octadecanoic acid, 2-phenoxy-
- IUPAC
- 2-phenoxyoctadecanoic acid
Names & synonyms
68764-69-2Octadecanoic acid, 2-phenoxy-2-phenoxyoctadecanoic acidSCHEMBL6342298DTXSID10988466
Database identifiers
- CAS
68764-69-2- PubChem CID
- 155175
- DTXSID
DTXSID10988466- Nikkaji
- J449.818F
Properties
Computed structural properties
- XLogP
- 9.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 18
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 337
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Compound notes
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