Dodecyl 4-hydroxy-3-methoxybenzoate
Basic information
- CAS
5447-01-8- Standard SMILES
CCCCCCCCCCCCOC(=O)c1ccc(O)c(OC)c1- InChIKey
WUVQTCSYFYTZTM-UHFFFAOYSA-N- Molecular formula
- C20H32O4
- Average molar mass
- 336.5 g/mol
- Monoisotopic mass
- 336.2300595
Names & identifiers
- Preferred name
- Dodecyl 4-hydroxy-3-methoxybenzoate
- IUPAC
- dodecyl 4-hydroxy-3-methoxybenzoate
Names & synonyms
5447-01-8dodecyl 4-hydroxy-3-methoxybenzoateNSC16746SCHEMBL20237258SCHEMBL31550986DTXSID40280420NSC-16746
Database identifiers
- CAS
5447-01-8- PubChem CID
- 226364
- DTXSID
DTXSID40280420
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 14
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 319
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Compound notes
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