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Diorcinol

CAT: 0931-T125409-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T125409-02Size:5 mg
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CAS Number
20282-75-1
Target
Phosphatase, Others
Related Pathways
Others, Metabolism
Bioactivity
Diorcinol is a natural product that can be used as a reference standard. The CAS number of Diorcinol is 20282-75-1.
Smiles
Cc1cc(O)cc(Oc2cc(C)cc(O)c2)c1
Molecular Formula
C14H14O3
Molecular Weight
230.263
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Diorcinol

Diorcinol is an aromatic ether that is diphenyl ether in which both phenyl groups are substituted at position 3 by a hydroxy group and at position 5 by a methyl group. It has a role as a metabolite, a marine metabolite and a fungal metabolite. It is a member of phenols and an aromatic ether.

CAS Number20282-75-1
PubChem CID23396613
IUPAC Name3-(3-hydroxy-5-methylphenoxy)-5-methylphenol
Molecular FormulaC14H14O3
Molecular Weight230.26
XLogP3.5
Topological Polar Surface Area49.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity220
SMILES
CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)O)C)O
InChI
InChI=1S/C14H14O3/c1-9-3-11(15)7-13(5-9)17-14-6-10(2)4-12(16)8-14/h3-8,15-16H,1-2H3
InChIKey
SPCJQQBYWVGMQG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diorcinol
CAS: 20282-75-1
CID: 23396613
Formula: C14H14O3
MW: 230.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight230.26
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass230.094294304
Monoisotopic Mass230.094294304
Topological Polar Surface Area49.7 Ų
Heavy Atom Count17
Formal Charge0
Complexity220
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

Alternative Products

CatalogName
MBS5790887Diorcinol
GTR19277973-01Diorcinol D

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