1,3-Indandiol, 2-(3-(4-(o-methoxyphenyl)-1-piperazinyl)propyl)-2-phenyl-
Basic information
- CAS
31805-02-4- Standard SMILES
COc1ccccc1N1CCN(CCCC2(c3ccccc3)C(O)c3ccccc3C2O)CC1- InChIKey
YRRLKHVPBHGPBR-UHFFFAOYSA-N- Molecular formula
- C29H34N2O3
- Average molar mass
- 458.6 g/mol
- Monoisotopic mass
- 458.25694295
Names & identifiers
- Preferred name
- 1,3-Indandiol, 2-(3-(4-(o-methoxyphenyl)-1-piperazinyl)propyl)-2-phenyl-
- IUPAC
- 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-phenyl-1,3-dihydroindene-1,3-diol
- English name
- 2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-phenyl-1,3-dihydroin dene-1,3-diol
- Molecular formula
- C29H34N2O3
- Molecular weight
- 458.59
Names & synonyms
31805-02-4BRN 05947531,3-Indandiol, 2-(3-(4-(o-methoxyphenyl)-1-piperazinyl)propyl)-2-phenyl-2-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl}-2-phenyl-2,3-dihydro-1h-indene-1,3-diol2-(3-(4-(o-Methoxyphenyl)-1-piperazinyl)propyl)-2-phenyl-indandiol-1,3DTXSID509537342-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-phenyl-1,3-dihydroindene-1,3-diolDB-2269972-[3-[4-(2-METHOXYPHENYL)PIPERAZIN-1-YL]PROPYL]-2-PHENYL-1,3-DIHYDROIN DENE-1,3-DIOL2-[3-[4-(o-Methoxyphenyl)-1-piperazinyl]propyl]-2-phenyl-1,3-indanediol1H-Indene-1,3-diol, 2,3-dihydro-2-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]-2-phenyl-
Database identifiers
- CAS
31805-02-4- PubChem CID
- 208233
- DTXSID
DTXSID50953734- Nikkaji
- J127.626C
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 613
Physicochemical properties
- Boiling point
- 625.5 · 625.5±55.0 °C(Predicted)
- Density
- 1.2 · 1.200±0.06 g/cm3(Predicted)
- pka
- 13.3 · 13.30±0.60(Predicted)
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Compound notes
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