2-Phenyl-3-(pyrrolidin-1-yl)-1-(3,4,5-trimethoxyphenyl)propan-1-one--hydrogen chloride (1/1)
Basic information
- CAS
40281-32-1- Standard SMILES
COc1cc(C(=O)C(CN2CCCC2)c2ccccc2)cc(OC)c1OC.Cl- InChIKey
GVEHAHIPWCDIMQ-UHFFFAOYSA-N- Molecular formula
- C22H28ClNO4
- Average molar mass
- 405.9 g/mol
- Monoisotopic mass
- 405.1706861
Names & identifiers
- Preferred name
- 2-Phenyl-3-(pyrrolidin-1-yl)-1-(3,4,5-trimethoxyphenyl)propan-1-one--hydrogen chloride (1/1)
- IUPAC
- 2-phenyl-3-pyrrolidin-1-yl-1-(3,4,5-trimethoxyphenyl)propan-1-one;hydrochloride
Names & synonyms
40281-32-1DTXSID909606842-Phenyl-3-(pyrrolidin-1-yl)-1-(3,4,5-trimethoxyphenyl)propan-1-one--hydrogen chloride (1/1)RefChem:1064145DTXCID3013885292-Phenyl-3-(1-pyrrolidinyl)-3',4',5'-trimethoxypropiophenone hydrochloridePropiophenone, 2-phenyl-3-(1-pyrrolidinyl)-3',4',5'-trimethoxy-, hydrochloride
Database identifiers
- CAS
40281-32-1- PubChem CID
- 218145
- DTXSID
DTXSID90960684
Properties
Computed structural properties
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 445
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Compound notes
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