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DOOT-2d

CAT: 0931-T70492-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T70492-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1522345-35-2
Target
Others
Related Pathways
Others
Bioactivity
DOOT-2d is a selective MAO-B inhibitor.
Smiles
C(C)(=O)C1=C(O)C=C(OCC2=CC(F)=CC=C2)C=C1
Molecular Formula
C15H13FO3
Molecular Weight
260.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

DOOT-2d
CAS Number1522345-35-2
PubChem CID91863223
IUPAC Name1-[4-[(3-fluorophenyl)methoxy]-2-hydroxyphenyl]ethanone
Molecular FormulaC15H13FO3
Molecular Weight260.26
XLogP3.6
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity308
SMILES
CC(=O)C1=C(C=C(C=C1)OCC2=CC(=CC=C2)F)O
InChI
InChI=1S/C15H13FO3/c1-10(17)14-6-5-13(8-15(14)18)19-9-11-3-2-4-12(16)7-11/h2-8,18H,9H2,1H3
InChIKey
UFWGBYKUPYCCBE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of DOOT-2d
CAS: 1522345-35-2
CID: 91863223
Formula: C15H13FO3
MW: 260.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.26
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass260.08487243
Monoisotopic Mass260.08487243
Topological Polar Surface Area46.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity308
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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