3-(1-Hexyl-3-propylpyrrolidin-3-yl)phenol
Basic information
- CAS
38173-85-2- Standard SMILES
CCCCCCN1CCC(CCC)(c2cccc(O)c2)C1- InChIKey
WXENAWQSRBORGD-UHFFFAOYSA-N- Molecular formula
- C19H31NO
- Average molar mass
- 289.5 g/mol
- Monoisotopic mass
- 289.24056461
Names & identifiers
- Preferred name
- 3-(1-Hexyl-3-propylpyrrolidin-3-yl)phenol
- IUPAC
- 3-(1-hexyl-3-propylpyrrolidin-3-yl)phenol
Names & synonyms
3-(1-hexyl-3-propylpyrrolidin-3-yl)phenolPhenol, 3-(1-hexyl-3-propyl-3-pyrrolidinyl)-DTXSID60125758538173-85-2
Database identifiers
- CAS
38173-85-2- PubChem CID
- 216702
- DTXSID
DTXSID601257585
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 293
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Compound notes
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