Phenol, m-(3-isopropyl-1-methyl-3-pyrrolidinyl)-
Basic information
- CAS
38906-41-1- Standard SMILES
CC(C)C1(c2cccc(O)c2)CCN(C)C1- InChIKey
VBNBZSGCTCCXKA-UHFFFAOYSA-N- Molecular formula
- C14H21NO
- Average molar mass
- 219.32 g/mol
- Monoisotopic mass
- 219.16231429
Names & identifiers
- Preferred name
- Phenol, m-(3-isopropyl-1-methyl-3-pyrrolidinyl)-
- IUPAC
- 3-(1-methyl-3-propan-2-ylpyrrolidin-3-yl)phenol
- English name
- 3-[1-Methyl-3-(1-methylethyl)-3-pyrrolidinyl]phenol
- Molecular weight
- 0
Names & synonyms
BRN 1459715m-(3-Isopropyl-1-methyl-3-pyrrolidinyl)phenol38906-41-1Phenol, m-(3-isopropyl-1-methyl-3-pyrrolidinyl)-Pyrrolidine, 3-(m-hydroxyphenyl)-3-isopropyl-1-methyl-5-21-02-00458 (Beilstein Handbook Reference)RefChem:3693783-[1-Methyl-3-(propan-2-yl)pyrrolidin-3-yl]phenolDTXSID809596683-[1-Methyl-3-(1-methylethyl)-3-pyrrolidinyl]phenol
Database identifiers
- CAS
38906-41-1- PubChem CID
- 217410
- DTXSID
DTXSID80959668- Nikkaji
- J50.148D
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 241
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Related reactions
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Compound notes
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