Phenol, m-(3-isopentyl-1-methyl-3-pyrrolidinyl)-
Basic information
- CAS
38906-46-6- Standard SMILES
CC(C)CCC1(c2cccc(O)c2)CCN(C)C1- InChIKey
NBYLDDKRYIOEHF-UHFFFAOYSA-N- Molecular formula
- C16H25NO
- Average molar mass
- 247.38 g/mol
- Monoisotopic mass
- 247.19361442
Names & identifiers
- Preferred name
- Phenol, m-(3-isopentyl-1-methyl-3-pyrrolidinyl)-
- IUPAC
- 3-[1-methyl-3-(3-methylbutyl)pyrrolidin-3-yl]phenol
- English name
- 3-[1-Methyl-3-(3-methylbutyl)-3-pyrrolidinyl]phenol
- Molecular weight
- 0
Names & synonyms
38906-46-6BRN 1464850m-(3-Isopentyl-1-methyl-3-pyrrolidinyl)phenolPhenol, m-(3-isopentyl-1-methyl-3-pyrrolidinyl)-Pyrrolidine, 3-(m-hydroxyphenyl)-3-isopentyl-1-methyl-RefChem:3693773-(3-Isopentyl-1-methylpyrrolidin-3-yl)phenol3-[1-methyl-3-(3-methylbutyl)pyrrolidin-3-yl]phenolDTXSID109596713-[1-Methyl-3-(3-methylbutyl)-3-pyrrolidinyl]phenol
Database identifiers
- CAS
38906-46-6- PubChem CID
- 217412
- DTXSID
DTXSID10959671- Nikkaji
- J50.146H
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 266
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Related reactions
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Compound notes
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