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Phenolphthalol

CAT: 0013-GTR19187749-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187749-02Size:50 mg
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Description
Phenolphthalol is a synthetic compound with dual estrogenic and laxative activities. It is used in research to study estrogen receptor interactions and gastrointestinal pharmacology in both in vitro and in vivo experimental models.
CAS Number
81-92-5
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
C (C1=C (CO) C=CC=C1) (C2=CC=C (O) C=C2) C3=CC=C (O) C=C3
Molecular Formula
C20H18O3
Molecular Weight
306.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(Bis(4-hydroxyphenyl)methyl)benzenemethanol

Phenolphthalol is a benzenoid aromatic compound.

CAS Number81-92-5
PubChem CID66495
IUPAC Name4-[[2-(hydroxymethyl)phenyl]-(4-hydroxyphenyl)methyl]phenol
Molecular FormulaC20H18O3
Molecular Weight306.4
XLogP3.7
Topological Polar Surface Area60.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity321
SMILES
C1=CC=C(C(=C1)CO)C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O
InChI
InChI=1S/C20H18O3/c21-13-16-3-1-2-4-19(16)20(14-5-9-17(22)10-6-14)15-7-11-18(23)12-8-15/h1-12,20-23H,13H2
InChIKey
CREICILGVGNQBH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Bis(4-hydroxyphenyl)methyl)benzenemethanol
CAS: 81-92-5
CID: 66495
Formula: C20H18O3
MW: 306.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight306.4
XLogP33.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass306.125594432
Monoisotopic Mass306.125594432
Topological Polar Surface Area60.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity321
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
T60717-01Phenolphthalol

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