Basic information
- CAS
5687-88-7- Standard SMILES
Cc1cc(C)cc(OCC(=O)N2CCN(c3ccccc3)CC2)c1- InChIKey
HPPYYILSSNAAGI-UHFFFAOYSA-N- Molecular formula
- C20H24N2O2
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.18377801
Names & identifiers
- Preferred name
- 2-(3,5-Dimethylphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
- IUPAC
- 2-(3,5-dimethylphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
- English name
- umbellulonic acid
- Molecular formula
- C9H14O3
- Molecular weight
- 170.21
Names & synonyms
2-(3,5-dimethylphenoxy)-1-(4-phenylpiperazin-1-yl)ethanoneUmbellulonic acidCBMicro_014996Oprea1_840411DTXSID40972297STK039076AKOS003264620CCG-287083BIM-0015013.P001SR-010002170191-[(3,5-dimethylphenoxy)acetyl]-4-phenylpiperazineSR-01000217019-1
Show more names
2-Acetyl-1-isopropylcyclopropanecarboxylic acid2-Acetyl-1-isopropyl-1-cyclopropanecarboxylic acidCyclopropanecarboxylic acid, 2-acetyl-1-(1-methylethyl)-
2-(3,5-Dimethylphenoxy)-1-(4-phenylpiperazin-1-yl)ethan-1-one
Database identifiers
- CAS
5687-88-7- PubChem CID
- 868083
- DTXSID
DTXSID40972297
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 390
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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