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2- (3-Hydroxy-3-methylbutyl) phenol

CAT: 0013-GTR19253013-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19253013-01Size:100 mg
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Description
2- (3-Hydroxy-3-methylbutyl) phenol
CAS Number
4167-73-1
Field of Research
Pharmacology & Drug Discovery
Smiles
CC (C) (O) CCc1ccccc1O
Molecular Formula
C11H16O2
Molecular Weight
180.2435
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(3-Hydroxy-3-methylbutyl)phenol
CAS Number4167-73-1
PubChem CID2778953
IUPAC Name2-(3-hydroxy-3-methylbutyl)phenol
Molecular FormulaC11H16O2
Molecular Weight180.24
XLogP2.2
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity154
SMILES
CC(C)(CCC1=CC=CC=C1O)O
InChI
InChI=1S/C11H16O2/c1-11(2,13)8-7-9-5-3-4-6-10(9)12/h3-6,12-13H,7-8H2,1-2H3
InChIKey
HULLBXYBMZDZKL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3-Hydroxy-3-methylbutyl)phenol
CAS: 4167-73-1
CID: 2778953
Formula: C11H16O2
MW: 180.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight180.24
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass180.115029749
Monoisotopic Mass180.115029749
Topological Polar Surface Area40.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity154
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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