1,2-Diphenylpropane
Basic information
- CAS
5814-85-7- Standard SMILES
CC(Cc1ccccc1)c1ccccc1- InChIKey
XLWCIHPMASUXPI-UHFFFAOYSA-N- Molecular formula
- C15H16
- Average molar mass
- 196.29 g/mol
- Monoisotopic mass
- 196.12520051
Overview
1,1'-(propane-1,2-diyl)dibenzene is a diphenylethane that is 1,2-dihydrostilbene substituted by a methyl group at position 1. It has a role as a metabolite. It derives from a hydride of a 1,2-dihydrostilbene.
Names & identifiers
- Preferred name
- 1,2-Diphenylpropane
- IUPAC
- 1-phenylpropan-2-ylbenzene
- English name
- 1,2-diphenylpropane
- Molecular formula
- C15H16
- Molecular weight
- 196.29
Names & synonyms
1,2-Diphenylpropane5814-85-7DTXSID70871148RefChem:1052328DTXCID60818820227-382-31-phenylpropan-2-ylbenzeneBibenzyl, .alpha.-methyl-Propane-1,2-diyldibenzene1,1'-(propane-1,2-diyl)dibenzene.alpha.-Methylbibenzylalpha-METHYL BIBENZYL
Show more names
(1-methyl-2-phenyl-ethyl)benzene1,1'-(1-Methyl-1,2-ethanediyl)bisbenzeneBenzene,1,1'-(1-methyl-1,2-ethanediyl)bis-
Benzene, 1,1'-(1-methyl-1,2-ethanediyl)bis-.alpha.,.beta.-Diphenylpropane(1-Methyl-2-phenylethyl)benzenealpha-MethylbibenzylEINECS 227-382-3NSC4038812-PhenylpropylbenzenePropane,2-diphenyl-
Database identifiers
- CAS
5814-85-7- PubChem CID
- 22068
- DTXSID
DTXSID70871148- ChEBI
CHEBI:87382- EC Number
- 227-382-3
- Nikkaji
- J114.090F
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 161
Physicochemical properties
- Melting point
- 0.25 °C · 0.25°C
- Boiling point
- 280.85 °C · 280.85°C
- Density
- 0.9736 · 0.9736 (estimate)
- refractive index
- 1.5562 · 1.5562
Chemistry & industry
Additional notes
DefinitionChEBI: A diphenylethane that is 1,2-dihydrostilbene substituted by a methyl group at position 1.
Related reactions
1 records
Compound notes
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