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4-Benzyloxy-2,6-dimethoxybenzaldehyde

HCID 4607337
NotesReactions

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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
679428-14-9
Standard SMILES
COc1cc(OCc2ccccc2)cc(OC)c1C=O
InChIKey
YHMXRPWCVSRREV-UHFFFAOYSA-N
Molecular formula
C16H16O4
Average molar mass
272.29 g/mol
Monoisotopic mass
272.10485899

Names & identifiers

Preferred name
4-Benzyloxy-2,6-dimethoxybenzaldehyde
IUPAC
2,6-dimethoxy-4-phenylmethoxybenzaldehyde

Names & synonyms

4-(benzyloxy)-2,6-dimethoxybenzaldehyde679428-14-94-benzyloxy-2,6-dimethoxybenzaldehyde2,6-dimethoxy-4-phenylmethoxybenzaldehydeBenzaldehyde, 2,6-dimethoxy-4-(phenylmethoxy)-SCHEMBL1745424SCHEMBL7309962DTXSID90404816YHMXRPWCVSRREV-UHFFFAOYSA-NMFCD02683435MFCD26794212AKOS023413610
Show more names
4-benzyloxy-2,6-dimethoxy-benzaldehydeMS-11547

Database identifiers

CAS
679428-14-9
PubChem CID
4607337
DTXSID
DTXSID90404816

Properties

Computed structural propertiesFilling in

XLogP
2.8
Topological polar surface area
44.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
20
Formal charge
0
Complexity
274

Related reactions

4 records
New reaction record
HRID 175769 reaction equation
HRID 175769As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 2345064 reaction equation
HRID 2345064As reactantTraining data from https://doi.org/10.1039/C8SC04228D (10/10)
HRID 2422243 reaction equation
HRID 2422243As productuspto-grants-2011_06
HRID 2422244 reaction equation
HRID 2422244As reactantuspto-grants-2011_06

Compound notes

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