4,4'-Dihydroxytetraphenylmethane (CED0062093)

Record Information

Version

1.0

Creation Date

2026-04-02 23:32:18 UTC

Update Date

2026-08-22 04:40:30 UTC

Accession Number

CHEM059222

Identification

Common Name

4,4'-Dihydroxytetraphenylmethane

Class

Small Molecule

Description

4,4'-Dihydroxytetraphenylmethane belongs to the diphenylmethanes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the chemical formula C25H20O2 and an average molecular weight of 352.43 g/mol. The substance has been identified in or released from six recorded sources. These include household items such as coins, food contact materials used in food, food processing, and cookware, as well as various electrical and electronic equipment including selectors, emergency protective devices, communication cables or conductors, and antennas. Human exposure to the compound may occur through touch, oral, or inhalation routes. Regarding its presence in plastics, 4,4'-Dihydroxytetraphenylmethane has not been detected in polycarbonate or polypropylene.

Contaminant Type

Phenolic Antioxidant

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₅H₂₀O₂

Average Molecular Mass

352.433 g/mol

Monoisotopic Mass

352.146 g/mol

CAS Registry Number

1844-01-5

IUPAC Name

4-[(4-hydroxyphenyl)diphenylmethyl]phenol

Traditional Name

4-[(4-hydroxyphenyl)diphenylmethyl]phenol

SMILES

OC1=CC=C(C=C1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=C(O)C=C1

InChI Identifier

InChI=1S/C25H20O2/c26-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19,20-9-5-2-6-10-20)22-13-17-24(27)18-14-22/h1-18,26-27H

InChI Key

BATCUEARTUKW-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as bisphenols. These are methylenediphenols, HOC6H4CH2C6H4OH, commonly p,p-methylenediphenol, and their substitution products (generally derived from condensation of two equivalent amounts of a phenol with an aldehyde or ketone).

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Diphenylmethanes

Direct Parent

Bisphenols

Alternative Parents

Substituents

Bisphenol
1-hydroxy-2-unsubstituted benzenoid
Phenol
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	0.00065 g/L	ALOGPS
logP	5.92	ALOGPS
logP	6.31	ChemAxon
logS	-5.7	ALOGPS
pKa (Strongest Acidic)	9.59	ChemAxon
pKa (Strongest Basic)	-5.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	40.46 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	108.97 m³·mol⁻¹	ChemAxon
Polarizability	39.18 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Not Available

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
2771.0	Log mg/kg	[1600:4900]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
491		Industrial manufacturing & chemical processing	Not Available
494	Food contact materials	Food, food processing & cookware	Not Available
506	Antennas	Electrical & Electronic Equipment	Not Available
510	Communication Cables Or Conductors	Electrical & Electronic Equipment	Not Available
520	Emergency Protective Devices	Electrical & Electronic Equipment	Not Available
532	Selectors	Electrical & Electronic Equipment	Not Available
571	Coins	Household items	Not Available
652	Ropes	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Sarcoplasmic/endoplasmic reticulum calcium ATPase 2	P11507	Rattus norvegicus	Predicted (SEA)	0.233548
Click to view 3D structure	Estrogen receptor beta	Q92731	Humans	Predicted (SEA)	6.92858
Click to view 3D structure	Nuclear receptor ROR-gamma	P51449	Humans	Predicted (SEA)	26.2352
Click to view 3D structure	Carbonic anhydrase 3	P07451	Humans	Predicted (SEA)	2.80257
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	64.2256
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	48.3444
Click to view 3D structure	Estrogen receptor	P03372	Humans	Predicted (SEA)	33.6309
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	93.7305
Click to view 3D structure	Lignostilbene alpha, beta-dioxygenase	O87171	Sphingomonas paucimobilis	Predicted (SEA)	0.700643
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	43.7513
Click to view 3D structure	Polyunsaturated fatty acid lipoxygenase ALOX15	P12530	Oryctolagus cuniculus	Predicted (SEA)	2.72472
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	69.8307
Click to view 3D structure	Carbonic anhydrase	Q2PCB5	Dicentrarchus labrax	Predicted (SEA)	1.32344
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	100.97
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	237.985
Click to view 3D structure	Large T antigen	P03070	Simian virus 40	Predicted (SEA)	16.8154
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	79.6398
Click to view 3D structure	Estrogen-related receptor gamma	P62508	Humans	Predicted (SEA)	7.16213
Click to view 3D structure	Tyrosinase	O42713	Agaricus bisporus	Predicted (SEA)	11.5217
Click to view 3D structure	5-hydroxytryptamine receptor 6	P50406	Humans	Predicted (SEA)	340.357
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	157.022
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	287.419
Click to view 3D structure	Glycogen synthase kinase-3 beta	P49841	Humans	Predicted (SEA)	1093.0
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	279.712
Click to view 3D structure	Cytochrome b-c1 complex subunit 7	P14927	Humans	Predicted (SEA)	12.4559