Basic information
- CAS
16143-89-8- Standard SMILES
COc1ccc(C(C#N)=C(c2ccccc2)c2ccccc2)cc1- InChIKey
KPCGDUZWYDQIFG-UHFFFAOYSA-N- Molecular formula
- C22H17NO
- Average molar mass
- 311.4 g/mol
- Monoisotopic mass
- 311.13101417
Names & identifiers
- Preferred name
- ACRYLONITRILE, 2-(p-METHOXYPHENYL)-3,3-DIPHENYL-
- IUPAC
- 2-(4-methoxyphenyl)-3,3-diphenylprop-2-enenitrile
- English name
- 2-(p-Methoxyphenyl)-3,3-diphenylacrylonitrile
- Molecular formula
- C22H17NO
- Molecular weight
- 311.38
Names & synonyms
ACRYLONITRILE, 2-(p-METHOXYPHENYL)-3,3-DIPHENYL-2-(4-methoxyphenyl)-3,3-diphenylprop-2-enenitrile16143-89-8BRN 28141762-(p-Methoxyphenyl)-3,3-diphenylacrylonitrilealpha-(p-Methoxyphenyl)-beta,beta-diphenylacrylonitrile3-10-00-01337 (Beilstein Handbook Reference)SCHEMBL20067746DTXSID30167150Benzeneacetonitrile, α-(diphenylmethylene)-4-methoxy-
Database identifiers
- CAS
16143-89-8- PubChem CID
- 27698
- DTXSID
DTXSID30167150- Nikkaji
- J33.776E
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 445
Physicochemical properties
- Melting point
- 149 °C · 149 °C
- Boiling point
- 451.42 °C · 451.42°C (rough estimate)
- Density
- 1.1292 · 1.1292 (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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