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[2- (1-Methylethoxy) phenyl]phenylmethanone

CAT: 0127-OR1101107-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1101107-01Size:250 mg
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CAS Number
133745-29-6
Purity
95%
Smiles
CC (C) Oc1ccccc1C (=O) c1ccccc1

Chemical Information

[2-(1-Methylethoxy)phenyl]phenylmethanone
CAS Number133745-29-6
PubChem CID11368457
IUPAC Namephenyl-(2-propan-2-yloxyphenyl)methanone
Molecular FormulaC16H16O2
Molecular Weight240.30
XLogP4.1
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity266
SMILES
CC(C)OC1=CC=CC=C1C(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H16O2/c1-12(2)18-15-11-7-6-10-14(15)16(17)13-8-4-3-5-9-13/h3-12H,1-2H3
InChIKey
ZZDNZFFHEOAQQA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [2-(1-Methylethoxy)phenyl]phenylmethanone
CAS: 133745-29-6
CID: 11368457
Formula: C16H16O2
MW: 240.30
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight240.30
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass240.115029749
Monoisotopic Mass240.115029749
Topological Polar Surface Area26.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity266
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