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Olivetol

CAT: 0926-J-640255-02Size: 100 gDry Ice: NoHazardous: No
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CAT#:0926-J-640255-02Size:100 g
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CAS Number
500-66-3
Synonyms
5-Pentyl-1,3-benzenediol; 1,3-Dihydroxy-5-pentylbenzene
MDL Number
MFCD00002293
Smiles
OC1=CC (CCCCC) =CC (O) =C1
Molecular Formula
C11H16O2
Molecular Weight
180.24 g/mol
Controlled
Yes

Chemical Information

Olivetol

Olivetol is a member of the class of resorcinols that is resorcinol in which the hydrogen at position 5 is replaced by a pentyl group. It has a role as a lichen metabolite.

CAS Number500-66-3
PubChem CID10377
IUPAC Name5-pentylbenzene-1,3-diol
Molecular FormulaC11H16O2
Molecular Weight180.24
XLogP3.6
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count13
Formal Charge0
Complexity126
SMILES
CCCCCC1=CC(=CC(=C1)O)O
InChI
InChI=1S/C11H16O2/c1-2-3-4-5-9-6-10(12)8-11(13)7-9/h6-8,12-13H,2-5H2,1H3
InChIKey
IRMPFYJSHJGOPE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Olivetol
CAS: 500-66-3
CID: 10377
Formula: C11H16O2
MW: 180.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.24
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass180.115029749
Monoisotopic Mass180.115029749
Topological Polar Surface Area40.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity126
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
C7059-100Olivetol
HY-W008364R-01Olivetol (Standard)
018762Olivetol-d9

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