2,4-Bis(benzyloxy)benzaldehyde

HCID 1809080CAS 13246-46-3

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Basic information

Standard SMILES: O=Cc1ccc(OCc2ccccc2)cc1OCc1ccccc1
InChIKey: DMYYTMVFUMDOGC-UHFFFAOYSA-N
Molecular formula: C21H18O3
Average molar mass: 318.4 g/mol
Monoisotopic mass: 318.12559444

Names & identifiers

Preferred name: 2,4-Bis(benzyloxy)benzaldehyde
IUPAC: 2,4-bis(phenylmethoxy)benzaldehyde
English name: 2,4-bis(phenylmethoxy)-Benzaldehyde
Molecular formula: C21H18O3
Molecular weight: 318.37

Names & synonyms

2,4-bis(benzyloxy)benzaldehyde13246-46-3DTXSID50365212RefChem:1059671DTXCID003162542,4-dibenzyloxy benzaldehyde2,4-bis(phenylmethoxy)benzaldehydeBenzaldehyde, 2,4-bis(phenylmethoxy)-2,4-dibenzyloxybenzaldehydeMFCD000220242,4-bis(phenylmethoxy)-Benzaldehyde2,4-bisbenzyloxybenzaldehyde

Show more names

SCHEMBL865350DMYYTMVFUMDOGC-UHFFFAOYSA-NNAA24646ICCB5_000066AKOS000290591EBC-612336BS-15200DA-12286

Database identifiers

CAS: 13246-46-3
PubChem CID: 1809080
DTXSID: DTXSID50365212
Nikkaji: J261.137F

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 24
Formal charge: 0
Complexity: 358

Physicochemical properties

Melting point: 94 · 94-95 °C
Boiling point: 508.5 · 508.5±40.0 °C(Predicted)
Density: 1.176 · 1.176±0.06 g/cm3(Predicted)
storage temp.: Inert atmosphere,Room Temperature
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338