Basic information
- CAS
1178327-08-6- Standard SMILES
Cc1ccc(C(=O)N2CCCC2C)cc1O- InChIKey
PBANZMUZAZKXEX-UHFFFAOYSA-N- Molecular formula
- C13H17NO2
- Average molar mass
- 219.28 g/mol
- Monoisotopic mass
- 219.12592879
Names & identifiers
- Preferred name
- (3-Hydroxy-4-methylphenyl)(2-methyl-1-pyrrolidinyl)methanone
- IUPAC
- (3-hydroxy-4-methylphenyl)-(2-methylpyrrolidin-1-yl)methanone
Names & synonyms
DTXSID201184764(3-Hydroxy-4-methylphenyl)(2-methyl-1-pyrrolidinyl)methanone(3-Hydroxy-4-methylphenyl)(2-methylpyrrolidin-1-yl)methanone1178327-08-6
Database identifiers
- CAS
1178327-08-6- PubChem CID
- 60974992
- DTXSID
DTXSID201184764
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 267
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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