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Benzyl 2-hydroxy-6-methoxybenzoate

CAT: 0013-GTR19222203-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19222203-01Size:25 mg
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Description
Benzyl 2-hydroxy-6-methoxybenzoate is a small molecule with significant antifungal properties, showing an IC50 of 25–26 μg/mL against various fungal strains. This compound is useful for in vitro antifungal mechanism studies and serves as a candidate for developing novel antifungal agents in microbiological research.
CAS Number
24474-71-3
Field of Research
Infectious Disease & Virology
Smiles
COc1cccc (O) c1C (=O) OCc1ccccc1
Molecular Formula
C15H14O4
Molecular Weight
258.273
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Benzyl 2-Hydroxy-6-Methoxybenzoate

Benzyl 2-hydroxy-6-methoxybenzoate has been reported in Desmos chinensis, Securidaca longepedunculata, and other organisms with data available.

CAS Number24474-71-3
PubChem CID6430728
IUPAC Namebenzyl 2-hydroxy-6-methoxybenzoate
Molecular FormulaC15H14O4
Molecular Weight258.27
XLogP3.4
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count19
Formal Charge0
Complexity286
SMILES
COC1=CC=CC(=C1C(=O)OCC2=CC=CC=C2)O
InChI
InChI=1S/C15H14O4/c1-18-13-9-5-8-12(16)14(13)15(17)19-10-11-6-3-2-4-7-11/h2-9,16H,10H2,1H3
InChIKey
CGNJMCLXIMWKDY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzyl 2-Hydroxy-6-Methoxybenzoate
CAS: 24474-71-3
CID: 6430728
Formula: C15H14O4
MW: 258.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.27
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass258.08920892
Monoisotopic Mass258.08920892
Topological Polar Surface Area55.8 Ų
Heavy Atom Count19
Formal Charge0
Complexity286
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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sc-337576Benzyl- (2-dibenzylamino) -3-bromo-5-methoxybenzoate
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OR1066060-015-Hydroxy-2- (((2S,3R,4S,5S,6R) -3,4,5-trihydroxy-6- (hydroxymethyl) tetrahydro-2H-pyran-2-yl) oxy) benzyl 2-hydroxy-6-methoxybenzoate
OR920076Benzyl 2-hydroxy-2-methylpropionate
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