Basic information
- CAS
3215-84-7- Standard SMILES
COc1ccc(C(=O)CCC(C)(C)C(c2ccc(OC)cc2)N(C)C)cc1- InChIKey
CUVQLAOFVFKROR-UHFFFAOYSA-N- Molecular formula
- C23H31NO3
- Average molar mass
- 369.5 g/mol
- Monoisotopic mass
- 369.23039385
Names & identifiers
- Preferred name
- Ketone, 3,3-dimethyl-4-(dimethylamino)-4-(p-methoxyphenyl)butyl p-methoxyphenyl
- IUPAC
- 5-(dimethylamino)-1,5-bis(4-methoxyphenyl)-4,4-dimethylpentan-1-one
- English name
- ω-(Dimethylamino)-4'-methoxy-ω-(p-methoxyphenyl)-γ,γ-dimethylvalerophenone
- Molecular formula
- C23H31NO3
- Molecular weight
- 369.5
Names & synonyms
3215-84-7KETONE, 3,3-DIMETHYL-4-(DIMETHYLAMINO)-4-(p-METHOXYPHENYL)BUTYL p-METHOXYPHENYLRefChem:1087994BRN 28210645-(dimethylamino)-1,5-bis(4-methoxyphenyl)-4,4-dimethylpentan-1-one3,3-Dimethyl-4-(dimethylamino)-4-(p-methoxyphenyl)butyl p-methoxyphenyl ketoneDTXSID90954008omega-(Dimethylamino)-4'-methoxy-omega-(p-methoxyphenyl)-gamma,gamma-dimethylvalerophenone1,5-Di-anisyl-4,4-dimethyl-5-dimethylamino-pentanon-(1)ω-(Dimethylamino)-4'-methoxy-ω-(p-methoxyphenyl)-γ,γ-dimethylvalerophenoneValerophenone, 5-(dimethylamino)-4'-methoxy-5-(p-methoxyphenyl)-4,4-dimethyl- (7CI,8CI)
Database identifiers
- CAS
3215-84-7- PubChem CID
- 18577
- DTXSID
DTXSID90954008- Nikkaji
- J41.549I
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 447
Physicochemical properties
- Boiling point
- 499.6 °C · 499.6°C (rough estimate)
- Density
- 1.1081 · 1.1081 (rough estimate)
- refractive index
- 1.5614 · 1.5614 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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