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2'-Benzoyloxy-6'-methoxyacetophenone

CAT: 0926-FB67570-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0926-FB67570-01Size:5 g
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CAS Number
118021-63-9
MDL Number
MFCD00017239
Smiles
COc1cccc (OC (=O) c2ccccc2) c1C (=O) C
Molecular Formula
C16H14O4
Molecular Weight
270.28 g/mol
Controlled
No

Chemical Information

2'-Benzoyloxy-6'-methoxyacetophenone
CAS Number118021-63-9
PubChem CID14572161
IUPAC Name(2-acetyl-3-methoxyphenyl) benzoate
Molecular FormulaC16H14O4
Molecular Weight270.28
XLogP3
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count20
Formal Charge0
Complexity346
SMILES
CC(=O)C1=C(C=CC=C1OC(=O)C2=CC=CC=C2)OC
InChI
InChI=1S/C16H14O4/c1-11(17)15-13(19-2)9-6-10-14(15)20-16(18)12-7-4-3-5-8-12/h3-10H,1-2H3
InChIKey
VKZWXSHCKWFEDH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2'-Benzoyloxy-6'-methoxyacetophenone
CAS: 118021-63-9
CID: 14572161
Formula: C16H14O4
MW: 270.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight270.28
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass270.08920892
Monoisotopic Mass270.08920892
Topological Polar Surface Area52.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity346
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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