2,4-Dihydroxyphenyl-3-phenylpropyl ketone

HCID 586394
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Basic information

Standard SMILES
O=C(CCCc1ccccc1)c1ccc(O)cc1O
InChIKey
PJWJGLYLKAYDEO-UHFFFAOYSA-N
Molecular formula
C16H16O3
Average molar mass
256.3 g/mol
Monoisotopic mass
256.10994437

Names & identifiers

Preferred name
2,4-Dihydroxyphenyl-3-phenylpropyl ketone
IUPAC
1-(2,4-dihydroxyphenyl)-4-phenylbutan-1-one

Names & synonyms

2,4-Dihydroxyphenyl-3-phenylpropyl ketoneSCHEMBL72953071-(2,4-dihydroxyphenyl)4-phenylbutan-1-one1-(2,4-Dihydroxyphenyl)-4-phenyl-1-butanone #

Database identifiers

PubChem CID
586394

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
57.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
19

Related reactions

2 records
New reaction record

Compound notes

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