4-Benzylresorcinol - ≥97% , CAS No.2284-30-2

CAS: 2284-30-2 Cat. No.: B152824 Formula: C₁₃H₁₂O₂ Peso molecolare: 200.24 Numero EC: 218-922-9

GRADE & PURITY ≥97%

Synonyms

FT-0692414 | SCHEMBL68292 | 4-benzyl-benzene-1,3-diol | 4-benzylbenzene-1,3-diol | EINECS 218-922-9 | BDBM50446415 | AKOS027320941 | QVFIWTNWKHFVEH-UHFFFAOYSA- | 4-Benzyl resorcinol | 4-Benzylresorcinol | B0438 | AS-58231 | MFCD00059620 | Resorcinol, 4-be

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinonimi

FT-0692414 | SCHEMBL68292 | 4-benzyl-benzene-1,3-diol | 4-benzylbenzene-1,3-diol | EINECS 218-922-9 | BDBM50446415 | AKOS027320941 | QVFIWTNWKHFVEH-UHFFFAOYSA- | 4-Benzyl resorcinol | 4-Benzylresorcinol | B0438 | AS-58231 | MFCD00059620 | Resorcinol, 4-be

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Sorrisi canonici

C1=CC=C(C=C1)CC2=C(C=C(C=C2)O)O

IUPAC Name

4-benzylbenzene-1,3-diol

InChIKey

QVFIWTNWKHFVEH-UHFFFAOYSA-N

INCHI

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

Isomeri SMILES

C1=CC=C(C=C1)CC2=C(C=C(C=C2)O)O

RTECS

VH0175000

Peso molecolare

200.24

Reaxy-Rn

2212106

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2212106&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Resorcinols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Resorcinol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrizione: 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: Not available

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

Obiettivi associati (umani)

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

Discover Target: ALOX5

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

ALOX12 Tchem Arachidonate 12-lipoxygenase (3262 Activities)

Discover Target: ALOX12

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Air Sensitive
• Punto di ebollizione (°C): 215°C/12mmHg(lit.)
• Punto di fusione (°C): 79 °C
• Peso molecolare: 200.230 g/mol
• XLogP3: 2.400
• 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: 187.000
• 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