(2r,3s)-3-(3-Methoxyphenyl)-2-phenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}pentan-1-one
Basic information
- CAS
33249-16-0- Standard SMILES
CC[C@H](c1cccc(OC)c1)[C@@H](C(=O)c1ccc(OCCN2CCCC2)cc1)c1ccccc1- InChIKey
ZAAGNEMTBMRION-WDYNHAJCSA-N- Molecular formula
- C30H35NO3
- Average molar mass
- 457.6 g/mol
- Monoisotopic mass
- 457.26169398
Names & identifiers
- Preferred name
- (2r,3s)-3-(3-Methoxyphenyl)-2-phenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}pentan-1-one
- IUPAC
- (2R,3S)-3-(3-methoxyphenyl)-2-phenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]pentan-1-one
Names & synonyms
X2YX7J5EMP33249-16-0Valerophenone, 3-(m-methoxyphenyl)-2-phenyl-4'-(2-(1-pyrrolidinyl)ethoxy)-, erythro-BRN 14087563-(m-Methoxyphenyl)-2-phenyl-4'-(2-(1-pyrrolidinyl)ethoxy)valerophenone, erythro-3-(m-methoxyphenyl)-2-phenyl-4'-[2-(1-pyrrolidinyl)ethoxy]Valerophenone, erythro-Valerophenone, 3-(m-methoxyphenyl)-2-phenyl-4'-[2-(1-pyrrolidinyl)ethoxy]-, erythro-erythro-3-(m-Methoxyphenyl)-2-phenyl-4'-(2-(1-pyrrolidinyl)ethoxy)valerophenone(2r,3s)-3-(3-methoxyphenyl)-2-phenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}pentan-1-oneUNII-X2YX7J5EMP5-20-01-00212 (Beilstein Handbook Reference)DTXSID70954889
Show more names
3-(3-Methoxyphenyl)-2-phenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}pentan-1-one1-Pentanone, 3-(3-methoxyphenyl)-2-phenyl-1-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-, (R*,S*)-
Database identifiers
- CAS
33249-16-0- PubChem CID
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 590
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Compound notes
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