Basic information
- CAS
38276-72-1- Standard SMILES
COc1ccc(OC/C=C/c2ccccc2)cc1- InChIKey
IBTUXJNVVDGUHE-VMPITWQZSA-N- Molecular formula
- C16H16O2
- Average molar mass
- 240.3 g/mol
- Monoisotopic mass
- 240.11502975
Names & identifiers
- Preferred name
- 1-Methoxy-4-((E)-3-phenyl-allyloxy)-benzene
- IUPAC
- 1-methoxy-4-[(E)-3-phenylprop-2-enoxy]benzene
- English name
- 1-Methoxy-4-((E)-3-phenyl-allyloxy)-benzene
- Molecular formula
- C16H16O2
- Molecular weight
- 240.3
Names & synonyms
38276-72-11-METHOXY-4-((E)-3-PHENYL-ALLYLOXY)-BENZENE1-methoxy-4-[(E)-3-phenylprop-2-enoxy]benzeneSCHEMBL28974977NSC86625NSC-86625AKOS015967570Benzene, 1-methoxy-4-[[(2E)-3-phenyl-2-propen-1-yl]oxy]-
Database identifiers
- CAS
38276-72-1- PubChem CID
- 5357751
- Nikkaji
- J2.100.185F、J3.366.962C
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 235
Physicochemical properties
- Melting point
- 107 · 107-107.8 °C(Solv: hexane (110-54-3); benzene (71-43-2))
- Boiling point
- 391.5 · 391.5±30.0 °C(Predicted)
- Density
- 1.078 · 1.078±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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