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1-(2'-Ethyl-5'-methoxy-2-propylbiphenyl-4-yl)propan-1-one

HCID 66879259
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCc1cc(C(=O)CC)ccc1-c1cc(OC)ccc1CC
InChIKey
BLGOPWQBVKHLRA-UHFFFAOYSA-N
Molecular formula
C21H26O2
Average molar mass
310.4 g/mol

Names & identifiers

Preferred name
1-(2'-Ethyl-5'-methoxy-2-propylbiphenyl-4-yl)propan-1-one
IUPAC
1-[4-(2-ethyl-5-methoxyphenyl)-3-propylphenyl]propan-1-one

Names & synonyms

SCHEMBL1022002BLGOPWQBVKHLRA-UHFFFAOYSA-N1-(2'-ethyl-5'-methoxy-2-propylbiphenyl-4-yl)propan-1-one

Database identifiers

PubChem CID
66879259

Properties

Computed structural properties

XLogP
5.8
Topological polar surface area
26.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
7
Heavy atoms
23
Formal charge
0
Complexity
365

Related reactions

3 records
New reaction record
HRID 169191 reaction equation
HRID 169191As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1114457 reaction equation
HRID 1114457As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 1869726 reaction equation
HRID 1869726As reactantuspto-grants-2009_12

Compound notes

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