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alpha-(4’-Hydroxyphenyl)phloroacetophenone

CAT: 0572-TRC-H949445-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H949445-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
15485-65-1
Synonyms
2,4,6-Trihydroxyphenyl-4'-hydroxybenzyl Ketone; 2-(p-Hydroxyphenyl)phloroacetophenone; 2-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone;
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
Oc1ccc(CC(=O)c2c(O)cc(O)cc2O)cc1
Molecular Formula
C14H12O5
Molecular Weight
260.24
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

2-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
CAS Number15485-65-1
PubChem CID9813852
IUPAC Name2-(4-hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
Molecular FormulaC14H12O5
Molecular Weight260.24
XLogP2.3
Topological Polar Surface Area98
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity299
SMILES
C1=CC(=CC=C1CC(=O)C2=C(C=C(C=C2O)O)O)O
InChI
InChI=1S/C14H12O5/c15-9-3-1-8(2-4-9)5-11(17)14-12(18)6-10(16)7-13(14)19/h1-4,6-7,15-16,18-19H,5H2
InChIKey
XYMPPRJBUSAOQA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)ethanone
CAS: 15485-65-1
CID: 9813852
Formula: C14H12O5
MW: 260.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.24
XLogP32.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass260.06847348
Monoisotopic Mass260.06847348
Topological Polar Surface Area98 Ų
Heavy Atom Count19
Formal Charge0
Complexity299
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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279527-01A- (4'-Hydroxyphenyl) phloroacetophenone
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