2,2'-Dihydroxydiphenylmethane - ≥99% , CAS No.2467-02-9

CAS: 2467-02-9 Cat. No.: D156001 分子式: C₁₃H₁₂O₂ 分子量: 200.24 Beilstein Registry Number: 6(4)6657 EC番号: 219-578-2

GRADE & PURITY ≥99%

Synonyms

KUC112930N | BIDD:ER0432 | MFCD00002243 | 2-(2-hydroxybenzyl)phenol | bis-(2-hydroxyphenyl)methane | bis-(2-hydroxy-phenyl)-methane | Bis(2-hydroxyphenyl)methane | O,O'-BIS(HYDROXYPHENYL)METHANE | MQCPOLNSJCWPGT-UHFFFAOYSA- | Phenol, 2,2'-methylenebis- |

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

同義語

KUC112930N | BIDD:ER0432 | MFCD00002243 | 2-(2-hydroxybenzyl)phenol | bis-(2-hydroxyphenyl)methane | bis-(2-hydroxy-phenyl)-methane | Bis(2-hydroxyphenyl)methane | O,O'-BIS(HYDROXYPHENYL)METHANE | MQCPOLNSJCWPGT-UHFFFAOYSA- | Phenol, 2,2'-methylenebis- |

仕様と純度

≥99%

保管条件

Room temperature,Argon charged

入荷

Normal

純度

≥99%

名前と識別子

パブケム・シド

488185133

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488185133

カノニカル・スマイル

C1=CC=C(C(=C1)CC2=CC=CC=C2O)O

IUPAC Name

2-[(2-hydroxyphenyl)methyl]phenol

InChIKey

MQCPOLNSJCWPGT-UHFFFAOYSA-N

INCHI

1S/C13H12O2/c14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)15/h1-8,14-15H,9H2

異性体SMILES

C1=CC=C(C(=C1)CC2=CC=CC=C2O)O

分子量

200.24

Beilstein

6(4)6657

Reaxy-Rn

1640599

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1640599&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• External Descriptors: diarylmethane

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

関連ターゲット（人間）

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Discover Target: FABP2

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HSPA5 Tchem 78 kDa glucose-regulated protein (3319 Activities)

Discover Target: HSPA5

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

関連ターゲット（非人間）

Escherichia coli (133304 Activities)

Explore this target

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

作用メカニズム

化学的性質と物理的性質

• 感度: Air Sensitive
• 融点（°C）: 118 °C
• 分子量: 200.230 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 200.084 Da
• Monoisotopic Mass: 200.084 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 173.000
• 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