2-(Bis(4-hydroxyphenyl)methyl)benzenemethanol
Basic information
- CAS
81-92-5- Standard SMILES
OCc1ccccc1C(c1ccc(O)cc1)c1ccc(O)cc1- InChIKey
CREICILGVGNQBH-UHFFFAOYSA-N- Molecular formula
- C20H18O3
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.12559443
Overview
Phenolphthalol is a benzenoid aromatic compound.
Names & identifiers
- Preferred name
- 2-(Bis(4-hydroxyphenyl)methyl)benzenemethanol
- IUPAC
- 4-[[2-(hydroxymethyl)phenyl]-(4-hydroxyphenyl)methyl]phenol
- English name
- 2-[Bis(4-hydroxyphenyl)methyl]benzyl alcohol
- Molecular formula
- C20H18O3
- Molecular weight
- 306.36
Names & synonyms
81-92-5EgmolE8T2H78YBMNSC-915272-[Bis(4-hydroxyphenyl)methyl]benzenemethanolDTXSID002308452-(Bis(4-hydroxyphenyl)methyl)benzenemethanolRefChem:1061485DTXCID30153336201-386-5Phenolphthalol2-[Bis(4-hydroxyphenyl)methyl]benzyl Alcohol
Show more names
RegolaxBenzenemethanol, 2-[bis(4-hydroxyphenyl)methyl]-
NormolaxRegmolaxVelaxin4-[[2-(hydroxymethyl)phenyl]-(4-hydroxyphenyl)methyl]phenol4,4'-((2-(Hydroxymethyl)phenyl)methylene)diphenolo-(Bis(p-hydroxyphenyl)methyl)benzyl alcoholNSC 91527Bis-(4-hydroxyphenyl)-(2-hydroxymethylphenyl)methane
Database identifiers
- CAS
81-92-5- PubChem CID
- 66495
- DTXSID
DTXSID00230845- ChEBI
CHEBI:135302- UNII
- E8T2H78YBM
- EC Number
- 201-386-5
- Nikkaji
- J8.610J
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 321
Experimental & physicochemical properties
LogP3.27
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 204 °C · 204 °C
- Boiling point
- 406.97 °C · 406.97°C (rough estimate)
- Density
- 1.1235 · 1.1235 (rough estimate)
- refractive index
- 1.663 · 1.6630 (estimate)
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 9.86 · 9.86±0.10(Predicted)
- color
- White to Almost white
- Merck
- 14 · 14,7245
- 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
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- rtecs
- DA4912000
- hs_code
- 2907.29.0500
- Toxicity
- TDLo scu-rat: 160 mg/kg/18H JAFCAU 18,1108,1970
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesPhenolphthalol is a laxative in agent preparations and also estrogenically active[1].
Additional notes
DefinitionChEBI: Phenolphthalol is a benzenoid aromatic compound.
Related reactions
2 records
Compound notes
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