2,4,4'-Trihydroxybenzophenone

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Product Information

Molecular Formula:
C13H10O4
Molecular Weight:
230.22
Description
2,4,4'-Trihydroxybenzophenone (CAS# 1470-79-7) is a small molecule inhibitor of viral replication.
Synonyms
(2,4-dihydroxyphenyl)-(4-hydroxyphenyl)methanone
IUPAC Name
(2,4-dihydroxyphenyl)-(4-hydroxyphenyl)methanone
Canonical SMILES
C1=CC(=CC=C1C(=O)C2=C(C=C(C=C2)O)O)O
InChI
InChI=1S/C13H10O4/c14-9-3-1-8(2-4-9)13(17)11-6-5-10(15)7-12(11)16/h1-7,14-16H
InChI Key
OKJFKPFBSPZTAH-UHFFFAOYSA-N
Boiling Point
332.2 ℃ (rough estimate)
Melting Point
197-198 ℃ (lit.)
Purity
> 98.0 % (LC) (T)
Density
1.413 g/cm3
Appearance
White to light yellow to light orange powder to crystal
Refractive Index
1.4977 (estimate)
LogP
2.03440

Safety Information

Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

XLogP3
2.6
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
2
Exact Mass
230.05790880 g/mol
Monoisotopic Mass
230.05790880 g/mol
Topological Polar Surface Area
77.8Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
271
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-113861748-A Myopia-preventing composite ink and preparation method and application thereof 2021-09-29
CN-112973465-A Oil-water separation membrane and application thereof in perishable garbage treatment 2021-02-09
WO-2022030052-A1 Photosensitive resin composition, photosensitive element, method for forming resist pattern, and method for producing printed wiring board 2020-08-07
WO-2022030053-A1 Photosensitive resin composition, photosensitive element, method for forming resist pattern, and method for producing printed wiring board 2020-08-07
WO-2022014679-A1 Polymer, composition, method for producing polymer, composition, film-forming composition, resist composition, radiation-sensitive composition, composition for forming underlayer film for lithography, method for forming resist pattern, method for producing underlayer film for lithography, method for forming circuit pattern, and composition for forming optical member 2020-07-15
WO-2022014684-A1 Polycyclic polyphenol resin, composition, method for producing polycyclic polyphenol resin, composition for forming film, resist composition, method for forming resist pattern, radiation-sensitive composition, composition for forming under layer film for lithography, method for producing under layer film for lithography, method for forming circuit pattern, and composition for forming optical member 2020-07-15
WO-2022009966-A1 Composition for forming film, resist composition, radiation-sensitive composition, amorphous film production method, resist pattern formation method, composition for forming underlayer film for lithography, circuit pattern formation method and production method for underlayer film for lithography, composition for forming optical member, resin for forming film, resist resin, radiation-sensitive resin, and resin for forming underlayer film for lithography 2020-07-08
CN-111574670-A Meta-pentadecylphenol phenolic resin and preparation method and application thereof 2020-06-12
CN-113687573-A Positive photosensitive resin composition, method for forming patterned resist film, and patterned resist film 2020-05-18
JP-2021182041-A A positive photosensitive resin composition, a method for forming a patterned resist film, and a patterned resist film. 2020-05-18

Literatures

PMID Publication Date Title Journal
16497524 2006-11-01 Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods Journal of molecular graphics & modelling
12765246 2003-04-30 Comparison of the reporter gene assay for ER-alpha antagonists with the immature rat uterotrophic assay of 10 chemicals Toxicology letters
12504345 2003-02-01 Immature rat uterotrophic assay of 18 chemicals and Hershberger assay of 30 chemicals Toxicology
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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