Basic information
- CAS
21662-84-0- Standard SMILES
OC1c2ccccc2C(O)C1(CCN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1- InChIKey
XPFVZWQUSZTBPG-UHFFFAOYSA-N- Molecular formula
- C27H29ClN2O2
- Average molar mass
- 449 g/mol
- Monoisotopic mass
- 448.1917559
Names & identifiers
- Preferred name
- 1,3-Indandiol, 2-(2-(4-(m-chlorophenyl)-1-piperazinyl)ethyl)-2-phenyl-
- IUPAC
- 2-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-2-phenyl-1,3-dihydroindene-1,3-diol
- English name
- 2-[2-[4-(m-Chlorophenyl)-1-piperazinyl]ethyl]-2-phenyl-1,3-indanediol
- Molecular formula
- C27H29ClN2O2
- Molecular weight
- 448.98
Names & synonyms
BRN 059161721662-84-02-(2-(4-(m-Chlorophenyl)-1-piperazinyl)ethyl)-2-phenyl-indandiol-1,31,3-Indandiol, 2-(2-(4-(m-chlorophenyl)-1-piperazinyl)ethyl)-2-phenyl-5-23-02-00175 (Beilstein Handbook Reference)RefChem:2192302-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-2-phenyl-2,3-dihydro-1h-indene-1,3-diolDTXSID309442662-[2-[4-(m-Chlorophenyl)-1-piperazinyl]ethyl]-2-phenyl-1,3-indanediol1H-Indene-1,3-diol, 2-[2-[4-(3-chlorophenyl)-1-piperazinyl]ethyl]-2,3-dihydro-2-phenyl-
Database identifiers
- CAS
21662-84-0- PubChem CID
- 210802
- DTXSID
DTXSID30944266- Nikkaji
- J127.606I
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 46.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 586
Physicochemical properties
- Boiling point
- 620 · 620.0±55.0 °C(Predicted)
- Density
- 1.27 · 1.270±0.06 g/cm3(Predicted)
- pka
- 13.28 · 13.28±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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