Basic information
- CAS
33382-06-8- Standard SMILES
COc1ccc2c(c1)OC[C@@H](c1ccccc1)[C@H]2c1ccc(OCCN2CCCC2)cc1- InChIKey
SKXCQODDFFKXHF-XCZPVHLTSA-N- Molecular formula
- C28H31NO3
- Average molar mass
- 429.5 g/mol
- Monoisotopic mass
- 429.23039385
Names & identifiers
- Preferred name
- (Z)-1-(2-(4-(3,4-Dihydro-7-methoxy-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)ethyl)pyrrolidine
- IUPAC
- 1-[2-[4-[(3R,4S)-7-methoxy-3-phenyl-3,4-dihydro-2H-chromen-4-yl]phenoxy]ethyl]pyrrolidine
Names & synonyms
(Z)-1-(2-(4-(3,4-Dihydro-7-methoxy-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)ethyl)pyrrolidine33382-06-8Pyrrolidine, 1-(2-(4-(3,4-dihydro-7-methoxy-3-phenyl-2H-1-benzopyran-4-yl)phenoxy)ethyl)-, (Z)-SCHEMBL7017857SKXCQODDFFKXHF-XCZPVHLTSA-N(+/-)-cis-7-Methoxy-3-phenyl-4-(4-(2-pyrrolidinoethoxy)phenyl)chromanecis-7-Methoxy-3-phenyl 4-{4-[2-(pyrrolidin- 1-yl)ethoxy]phenyl}chromanecis-7-Methoxy-3-phenyl 4-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}chromanecis-7-Methoxy-3-phenyl-4-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}chromane
Database identifiers
- CAS
33382-06-8- PubChem CID
- 214533
- Nikkaji
- J1.297.788C
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 30.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 551
Related reactions
6 records
Compound notes
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