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4-Hydroxy-3-methoxy-4'-methylbenzophenone

CAT: 0024-sc-490875Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-490875Size:100 mg
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CAS Number
134612-39-8

Chemical Information

4-Hydroxy-3-methoxy-4'-methylbenzophenone
CAS Number134612-39-8
PubChem CID11096783
IUPAC Name(4-hydroxy-3-methoxyphenyl)-(4-methylphenyl)methanone
Molecular FormulaC15H14O3
Molecular Weight242.27
XLogP2.5
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity281
SMILES
CC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)O)OC
InChI
InChI=1S/C15H14O3/c1-10-3-5-11(6-4-10)15(17)12-7-8-13(16)14(9-12)18-2/h3-9,16H,1-2H3
InChIKey
QRHQYMIZAGQGDF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxy-3-methoxy-4'-methylbenzophenone
CAS: 134612-39-8
CID: 11096783
Formula: C15H14O3
MW: 242.27
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight242.27
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass242.094294304
Monoisotopic Mass242.094294304
Topological Polar Surface Area46.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity281
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