4-Hydroxybenzophenone - ≥98% , CAS No.1137-42-4

CAS: 1137-42-4 Cat. No.: H108575 Molecular Weight: 198.22 Beilstein Registry Number: 777776 EC Number: 214-507-1

GRADE & PURITY ≥98%

Synonyms

Benzophenone, 4-hydroxy- | Methanone, (4-hydroxyphenyl)phenyl- | 1-(4-Hydroxyphenyl)-1-phenylmethanone | AKOS000119744 | N-(4-Hydroxylphenyl)-N'-phenylurea | 4'-Hydroxybenzophenone | 4-Hydroxybenzophenone | 4-HYDROXY-BENZOPHENONE | NCGC00258781-01 | PD065

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

Benzophenone, 4-hydroxy- | Methanone, (4-hydroxyphenyl)phenyl- | 1-(4-Hydroxyphenyl)-1-phenylmethanone | AKOS000119744 | N-(4-Hydroxylphenyl)-N'-phenylurea | 4'-Hydroxybenzophenone | 4-Hydroxybenzophenone | 4-HYDROXY-BENZOPHENONE | NCGC00258781-01 | PD065

Specifications & Purity

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488181984
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181984
• Canonical Smiles: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)O
• IUPAC Name: (4-hydroxyphenyl)-phenylmethanone
• InChIKey: NPFYZDNDJHZQKY-UHFFFAOYSA-N
• INCHI: 1S/C13H10O2/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,14H
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)O
• WGK Germany: 2
• RTECS: PC4959775
• Molecular Weight: 198.22
• Beilstein: 777776
• Reaxy-Rn: 777776
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=777776&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: Diphenylmethanes Aryl-phenylketones Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - Aryl ketone - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• External Descriptors: benzophenones

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CCF-STTG1 (114 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Leishmania amazonensis (3813 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water.
• Sensitivity: light & Moisture sensitive
• Melt Point(°C): 132-135°C
• Molecular Weight: 198.220 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 198.068 Da
• Monoisotopic Mass: 198.068 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 211.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

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