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4-Benzyloxy-3-cyclopentyloxybenzaldehyde (HCID 21187899)|Huagongshe
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Compound
4-Benzyloxy-3-cyclopentyloxybenzaldehyde
HCID
21187899
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
O=Cc1ccc(OCc2ccccc2)c(OC2CCCC2)c1
InChIKey
NHOYNZFMBMMOSK-UHFFFAOYSA-N
Molecular formula
C19H20O3
Average molar mass
296.4 g/mol
Monoisotopic mass
296.1412445
Names & identifiers
Preferred name
4-Benzyloxy-3-cyclopentyloxybenzaldehyde
IUPAC
3-cyclopentyloxy-4-phenylmethoxybenzaldehyde
Names & synonyms
SCHEMBL3893086
NHOYNZFMBMMOSK-UHFFFAOYSA-N
4-benzyloxy-3-cyclopentyloxybenzaldehyde
Database identifiers
PubChem CID
21187899
Properties
Computed structural properties
XLogP
4.1
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
22
Formal charge
0
Complexity
332
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Related reactions
20 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
210542
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
356933
As product
uspto-grants-1998_11
HRID
356934
As reactant
uspto-grants-1998_11
HRID
691659
As product
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID
1383516
As product
uspto-grants-2001_07
HRID
1383517
As reactant
uspto-grants-2001_07
HRID
1489716
As product
uspto-grants-1997_10
HRID
1489717
As reactant
uspto-grants-1997_10
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