Basic information
- CAS
832739-19-2- Standard SMILES
COc1ccc(C=O)cc1COc1ccc2c(c1)OCO2- InChIKey
SZTQVICBUZZYOG-UHFFFAOYSA-N- Molecular formula
- C16H14O5
- Average molar mass
- 286.28 g/mol
- Monoisotopic mass
- 286.08412354
Names & identifiers
- Preferred name
- 3-((Benzo[d][1,3]dioxol-5-yloxy)methyl)-4-methoxybenzaldehyde
- IUPAC
- 3-(1,3-benzodioxol-5-yloxymethyl)-4-methoxybenzaldehyde
Names & synonyms
832739-19-23-((Benzo[d][1,3]dioxol-5-yloxy)methyl)-4-methoxybenzaldehyde3-[(1,3-dioxaindan-5-yloxy)methyl]-4-methoxybenzaldehyde3-[(1,3-benzodioxol-5-yloxy)methyl]-4-methoxybenzaldehyde3-(1,3-benzodioxol-5-yloxymethyl)-4-methoxybenzaldehyde3-(Benzo[1,3]dioxol-5-yloxymethyl)-4-methoxy-benzaldehyde3-{[(2H-1,3-Benzodioxol-5-yl)oxy]methyl}-4-methoxybenzaldehyde3-(2H-benzo[3,4-d]1,3-dioxolan-5-yloxymethyl)-4-methoxybenzaldehydeMFCD03422310MLS001359935CHEMBL1529900DTXSID601195915
Show more names
HMS3021H08HIB73919SBB020819STK312602AKOS000308664SMR001224310ST080554CS-0240493
Database identifiers
- CAS
832739-19-2- PubChem CID
- 7019243
- DTXSID
DTXSID601195915- ChEMBL
CHEMBL1529900
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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