Basic information
- CAS
56265-21-5- Standard SMILES
CCOc1ccc(C(c2ccc(OCC)cc2)C(C)C)cc1- InChIKey
VMMKCQFUDUUQLY-UHFFFAOYSA-N- Molecular formula
- C20H26O2
- Average molar mass
- 298.4 g/mol
- Monoisotopic mass
- 298.19328007
Names & identifiers
- Preferred name
- Benzene, 1,1'-(2-methylpropylidene)bis(4-ethoxy-
- IUPAC
- 1-ethoxy-4-[1-(4-ethoxyphenyl)-2-methylpropyl]benzene
- English name
- 1,1'-(2-Methylpropylidene)bis(4-ethoxybenzene)
- Molecular formula
- C20H26O2
- Molecular weight
- 298.42
Names & synonyms
56265-21-5Benzene, 1,1'-(2-methylpropylidene)bis(4-ethoxy-A47171BRN 1984123AI3-293151,1'-(2-METHYLPROPYLIDENE)BIS(4-ETHOXYBENZENE)DTXSID50204814NSC 299580RefChem:323249DTXCID801273051-ethoxy-4-[1-(4-ethoxyphenyl)-2-methylpropyl]benzeneOprea1_522796
Show more names
A-471711,1-Bis(p-ethoxyphenyl)-2-methylpropaneBenzene, 1,1'-(2-methylpropylidene)bis[4-ethoxy-
Oprea1_7949981,1-bis-(p-ethoxyphenyl) isobutaneNSC299580AKOS000622507NSC-299580DB-300793ST50216585Z56871752
Database identifiers
- CAS
56265-21-5- PubChem CID
- 41819
- DTXSID
DTXSID50204814- Nikkaji
- J12.539C
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 260
Experimental & physicochemical properties
LogP3.61
Physicochemical properties
- Boiling point
- 399.83 °C · 399.83°C (rough estimate)
- Density
- 1.0104 · 1.0104 (rough estimate)
- refractive index
- 1.568 · 1.5680 (estimate)
- Water Solubility
- 43 ug/L · 43ug/L(room temperature)
- Toxicity
- 50 oral · LD50 oral in mouse: > 2100mg/kg
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Toxicity
- LD50 oral in mouse: > 2100mg/kg
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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