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4-(Benzyloxy)-2-hydroxy-3-propylacetophenone

CAT: 0572-TRC-B287880-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B287880-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
76833-51-7
Synonyms
4'-(Benzyloxy)-2'-hydroxy-3'-propylacetophenone; 1-[2-Hydroxy-4-(phenylmethoxy)-3-propylphenyl]ethanone
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
CCCc1c(O)c(ccc1OCc2ccccc2)C(=O)C
Molecular Formula
C18H20O3
Molecular Weight
284.35
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

4-(Benzyloxy)-2-hydroxy-3-propylacetophenone
CAS Number76833-51-7
PubChem CID2801568
IUPAC Name1-(2-hydroxy-4-phenylmethoxy-3-propylphenyl)ethanone
Molecular FormulaC18H20O3
Molecular Weight284.3
XLogP4.6
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count21
Formal Charge0
Complexity322
SMILES
CCCC1=C(C=CC(=C1O)C(=O)C)OCC2=CC=CC=C2
InChI
InChI=1S/C18H20O3/c1-3-7-16-17(11-10-15(13(2)19)18(16)20)21-12-14-8-5-4-6-9-14/h4-6,8-11,20H,3,7,12H2,1-2H3
InChIKey
DWXSLZFHRMZNIN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(Benzyloxy)-2-hydroxy-3-propylacetophenone
CAS: 76833-51-7
CID: 2801568
Formula: C18H20O3
MW: 284.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.3
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass284.14124450
Monoisotopic Mass284.14124450
Topological Polar Surface Area46.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity322
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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