3-Methoxy-4-[(3-methylbenzyl)oxy]benzaldehyde
Basic information
- CAS
292173-01-4- Standard SMILES
COc1cc(C=O)ccc1OCc1cccc(C)c1- InChIKey
JUMMOXLFMSQFSV-UHFFFAOYSA-N- Molecular formula
- C16H16O3
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.10994437
Names & identifiers
- Preferred name
- 3-Methoxy-4-[(3-methylbenzyl)oxy]benzaldehyde
- IUPAC
- 3-methoxy-4-[(3-methylphenyl)methoxy]benzaldehyde
- English name
- 3-Methoxy-4-[(3-methylbenzyl)oxy]benzaldehyde
- Molecular formula
- C16H16O3
- Molecular weight
- 256.3
Names & synonyms
292173-01-43-methoxy-4-[(3-methylbenzyl)oxy]benzaldehyde3-methoxy-4-[(3-methylphenyl)methoxy]benzaldehyde3-Methoxy-4-((3-methylbenzyl)oxy)benzaldehydeMFCD01963559Benzaldehyde, 3-methoxy-4-[(3-methylphenyl)methoxy]-3-Methoxy-4-(m-tolylmethoxy)benzaldehydeOprea1_269772Oprea1_390628SCHEMBL28653547DTXSID60353968JUMMOXLFMSQFSV-UHFFFAOYSA-N
Show more names
ZERO/004784AKOS B014220ZINC00227060ZERENEX E/4048071ART-CHEM-BB B014220CHEMBRDG-BB 3014220
ALBB-001337BBL015252SBB012952STK415201AKOS000201743VS-04864ST4128894CS-0314153
Database identifiers
- CAS
292173-01-4- PubChem CID
- 759796
- DTXSID
DTXSID60353968
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 279
Physicochemical properties
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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