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1,3-Dihydroxy-4-phenylacetyl-2-(n-propyl)benzene

HCID 10015964
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCc1c(O)ccc(C(=O)Cc2ccccc2)c1O
InChIKey
NPEMJIJTTDEBKB-UHFFFAOYSA-N
Molecular formula
C17H18O3
Average molar mass
270.32 g/mol

Names & identifiers

Preferred name
1,3-Dihydroxy-4-phenylacetyl-2-(n-propyl)benzene
IUPAC
1-(2,4-dihydroxy-3-propylphenyl)-2-phenylethanone

Names & synonyms

SCHEMBL7041414NPEMJIJTTDEBKB-UHFFFAOYSA-N1,3-dihydroxy-4-phenylacetyl-2-(n-propyl)benzene

Database identifiers

PubChem CID
10015964

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
57.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
20
Formal charge
0
Complexity
309

Related reactions

2 records
New reaction record
HRID 196933 reaction equation
HRID 196933As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 2289113 reaction equation
HRID 2289113As productuspto-grants-2000_07

Compound notes

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