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Benzyl 3-(4-benzyloxyphenyl)propionate

HCID 14281237
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(CCc1ccc(OCc2ccccc2)cc1)OCc1ccccc1
InChIKey
SKPALAHGJKKMSG-UHFFFAOYSA-N
Molecular formula
C23H22O3
Average molar mass
346.4 g/mol
Monoisotopic mass
346.15689456

Names & identifiers

Preferred name
Benzyl 3-(4-benzyloxyphenyl)propionate
IUPAC
benzyl 3-(4-phenylmethoxyphenyl)propanoate

Names & synonyms

SCHEMBL7276062SKPALAHGJKKMSG-UHFFFAOYSA-Nbenzyl 3-(4-benzyloxyphenyl)propionate

Database identifiers

PubChem CID
14281237

Properties

Computed structural properties

XLogP
5.1
Topological polar surface area
35.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
9
Heavy atoms
26
Formal charge
0
Complexity
388

Related reactions

3 records
New reaction record
HRID 820810 reaction equation
HRID 820810As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 867601 reaction equation
HRID 867601As productuspto-grants-1988_10
HRID 867602 reaction equation
HRID 867602As reactantuspto-grants-1988_10

Compound notes

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