Basic information
- CAS
55620-98-9- Standard SMILES
CC(c1ccccc1)C(C(=O)c1ccc(OCCN2CCCC2)cc1)c1ccccc1- InChIKey
LOOGANXPLOAKII-UHFFFAOYSA-N- Molecular formula
- C28H31NO2
- Average molar mass
- 413.5 g/mol
- Monoisotopic mass
- 413.23547923
Overview
2,3-Diphenyl-1-(4-(2-(1-pyrrolidinyl)ethoxy)phenyl)-1-butanone has been reported in Streptomyces gramineus with data available.
Names & identifiers
- Preferred name
- 3-Methyl-4'-(beta-pyrrolidinoethoxy)-2,3-diphenylpropiophenone
- IUPAC
- 2,3-diphenyl-1-[4-(2-pyrrolidin-1-ylethoxy)phenyl]butan-1-one
- English name
- 2,3-Diphenyl-1-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-1-butanone
- Molecular formula
- C28H31NO2
- Molecular weight
- 413.55
Names & synonyms
3-methyl-4'-(beta-pyrrolidinoethoxy)-2,3-diphenylpropiophenoneRefChem:911510BRN 45610563-Methyl-4'-(beta-pyrrolidinoethoxy)-2,3-dimethylpropiophenoneDTXSID909709602,3-Diphenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}butan-1-one1-BUTANONE, 2,3-DIPHENYL-1-(4-(2-(1-PYRROLIDINYL)ETHOXY)PHENYL)-DB-239478E-4922,3-Diphenyl-1-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-1-butanone1-Butanone, 2,3-diphenyl-1-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-
Database identifiers
- CAS
55620-98-9- PubChem CID
- 41489
- DTXSID
DTXSID90970960- Nikkaji
- J70.075D
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 523
Physicochemical properties
- Boiling point
- 561.9 · 561.9±50.0 °C(Predicted)
- Density
- 1.108 · 1.108±0.06 g/cm3(Predicted)
- pka
- 9.48 · 9.48±0.20(Predicted)
Chemistry & industry
Applications
DescriptionE 492 is a nonsteroidal compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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