4-Chloro-3-methyl-6-propan-2-yl-2-(pyrrolidin-1-ylmethyl)phenol
Basic information
- CAS
6300-54-5- Standard SMILES
Cc1c(Cl)cc(C(C)C)c(O)c1CN1CCCC1- InChIKey
AYFXLTNLURZPMK-UHFFFAOYSA-N- Molecular formula
- C15H22ClNO
- Average molar mass
- 267.79 g/mol
- Monoisotopic mass
- 267.138992
Names & identifiers
- Preferred name
- 4-Chloro-3-methyl-6-propan-2-yl-2-(pyrrolidin-1-ylmethyl)phenol
- IUPAC
- 4-chloro-3-methyl-6-propan-2-yl-2-(pyrrolidin-1-ylmethyl)phenol
Names & synonyms
6300-54-54-chloro-3-methyl-6-propan-2-yl-2-(pyrrolidin-1-ylmethyl)phenolNSC45129DTXSID00286382NSC-451294-Chloro-3-methyl-6-(propan-2-yl)-2-[(pyrrolidin-1-yl)methyl]phenol
Database identifiers
- CAS
6300-54-5- PubChem CID
- 239735
- DTXSID
DTXSID00286382
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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