Basic information
- CAS
53924-17-7- Standard SMILES
O=C(O)CCn1cc(C(c2ccccc2)c2ccccc2)c2ccccc21- InChIKey
YSIRQMKOJSTZCP-UHFFFAOYSA-N- Molecular formula
- C24H21NO2
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.15722891
Names & identifiers
- Preferred name
- 1H-Indole-1-propionic acid, 3-(diphenylmethyl)-
- IUPAC
- 3-(3-benzhydrylindol-1-yl)propanoic acid
- English name
- 3-(3-benzhydrylindol-1-yl)propanoic acid
- Molecular formula
- C24H21NO2
- Molecular weight
- 355.43
Names & synonyms
53924-17-71H-INDOLE-1-PROPIONIC ACID, 3-(DIPHENYLMETHYL)-3-(Diphenylmethyl)-1H-indole-1-propionic acidDTXSID90202213RefChem:238903DTXCID901247043-(3-benzhydrylindol-1-yl)propanoic acidDB-3144733-[3-(Diphenylmethyl)-1H-indol-1-yl]propanoic acid1H-Indole-1-propanoic acid, 3-(diphenylmethyl)-
Database identifiers
- CAS
53924-17-7- PubChem CID
- 40935
- DTXSID
DTXSID90202213
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 463
Physicochemical properties
- Boiling point
- 557.8 · 557.8±38.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 4.59 · 4.59±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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