Phenol, m-(3-sec-butyl-1-methyl-3-pyrrolidinyl)-
Basic information
- CAS
38906-44-4- Standard SMILES
CCC(C)C1(c2cccc(O)c2)CCN(C)C1- InChIKey
PYNQCOZDOAONJX-UHFFFAOYSA-N- Molecular formula
- C15H23NO
- Average molar mass
- 233.35 g/mol
- Monoisotopic mass
- 233.17796436
Names & identifiers
- Preferred name
- Phenol, m-(3-sec-butyl-1-methyl-3-pyrrolidinyl)-
- IUPAC
- 3-(3-butan-2-yl-1-methylpyrrolidin-3-yl)phenol
- English name
- 3-[1-Methyl-3-(1-methylpropyl)-3-pyrrolidinyl]phenol
- Molecular formula
- C15H23NO
- Molecular weight
- 233.35
Names & synonyms
BRN 1462880m-(3-sec-Butyl-1-methyl-3-pyrrolidinyl)phenolPhenol, m-(3-sec-butyl-1-methyl-3-pyrrolidinyl)-38906-44-4Pyrrolidine, 3-(sec-butyl)-3-(m-hydroxyphenyl)-1-methyl-5-21-02-00469 (Beilstein Handbook Reference)RefChem:3693803-[3-(Butan-2-yl)-1-methylpyrrolidin-3-yl]phenolDTXSID509596703-[1-Methyl-3-(1-methylpropyl)-3-pyrrolidinyl]phenolPhenol, 3-[1-methyl-3-(1-methylpropyl)-3-pyrrolidinyl]-
Database identifiers
- CAS
38906-44-4- PubChem CID
- 217411
- DTXSID
DTXSID50959670- Nikkaji
- J34.555E
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 255
Physicochemical properties
- Boiling point
- 345.2 · 345.2±35.0 °C(Predicted)
- Density
- 1.017 · 1.017±0.06 g/cm3(Predicted)
- pka
- 9.81 · 9.81±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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