erythro-p-(alpha,beta-Dimethyl-p-(2-(1-pyrrolidinyl)ethoxy)phenethyl)phenol
Basic information
- CAS
15622-17-0- Standard SMILES
C[C@H](c1ccc(OCCN2CCCC2)cc1)[C@@H](C)c1ccc(O)cc1- InChIKey
ZTQSAIBSMVONPQ-MSOLQXFVSA-N- Molecular formula
- C22H29NO2
- Average molar mass
- 339.5 g/mol
- Monoisotopic mass
- 339.21982917
Names & identifiers
- Preferred name
- erythro-p-(alpha,beta-Dimethyl-p-(2-(1-pyrrolidinyl)ethoxy)phenethyl)phenol
- IUPAC
- 4-[(2R,3S)-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]butan-2-yl]phenol
Names & synonyms
15622-17-0Phenol, p-(alpha,beta-dimethyl-p-(2-(1-pyrrolidinyl)ethoxy)phenethyl)-, erythro-erythro-p-(alpha,beta-Dimethyl-p-(2-(1-pyrrolidinyl)ethoxy)phenethyl)phenolDTXSID809354024-(3-{4-[2-(Pyrrolidin-1-yl)ethoxy]phenyl}butan-2-yl)phenol4-[(2R,3S)-3-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}butan-2-yl]phenol
Database identifiers
- CAS
15622-17-0- PubChem CID
- 204045
- DTXSID
DTXSID80935402
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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