1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 5-(p-chlorophenyl)-2-furoate
Basic information
- CAS
63191-89-9- Standard SMILES
CN1C2CCC1CC(OC(=O)c1ccc(-c3ccc(Cl)cc3)o1)C2- InChIKey
JCKYHCGTBXZTSB-UHFFFAOYSA-N- Molecular formula
- C19H20ClNO3
- Average molar mass
- 345.8 g/mol
- Monoisotopic mass
- 345.1131712
Names & identifiers
- Preferred name
- 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 5-(p-chlorophenyl)-2-furoate
- IUPAC
- (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 5-(4-chlorophenyl)furan-2-carboxylate
Names & synonyms
63191-89-9BRN 14956051-alpha-H,5-alpha-H-Tropan-3-alpha-ol, 5-(p-chlorophenyl)-2-furoate2-Furoic acid, 5-(p-chlorophenyl)-, 1-alpha-H,5-alpha-H-tropan-3-alpha-yl ester5-(p-Chlorophenylfuran)-2-carboxylic acid, 1-alpha-H,5-alpha-H-tropan-3-alpha-yl esterDTXSID809792008-METHYL-8-AZABICYCLO[3.2.1]OCTAN-3-YL 5-(4-CHLOROPHENYL)FURAN-2-CARBOXYLATE
Database identifiers
- CAS
63191-89-9- PubChem CID
- 3047293
- DTXSID
DTXSID80979200
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 42.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 452
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Related reactions
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Compound notes
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