Ethyl 4-(benzyloxy)benzoate - ≥98% , CAS No.56441-55-5

CAS: 56441-55-5 Cat. No.: E185241 Fórmula: C₁₆H₁₆O₃ Peso molecular: 256.3 Número CE: 108-783-1

GRADE & PURITY ≥98%

Synonyms

ethyl 4-phenylmethoxybenzoate | Ethyl 4-benzyloxybenzoate | Brl 10894 | Brl-10894 | SCHEMBL340618 | STL065849 | HMS558L18 | ethyl 4-(phenylmethoxy)benzoate | Ethyl 4-(benzyloxy)benzoate | 4-ethoxycarbonylphenoxyphenyl methane | MFCD00174341 | 4-ethoxycarb

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

ethyl 4-phenylmethoxybenzoate | Ethyl 4-benzyloxybenzoate | Brl 10894 | Brl-10894 | SCHEMBL340618 | STL065849 | HMS558L18 | ethyl 4-(phenylmethoxy)benzoate | Ethyl 4-(benzyloxy)benzoate | 4-ethoxycarbonylphenoxyphenyl methane | MFCD00174341 | 4-ethoxycarb

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

488188557

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188557

Sorrisos canónicos

CCOC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2

IUPAC Name

ethyl 4-phenylmethoxybenzoate

InChIKey

UMOKJIWMQFEFJE-UHFFFAOYSA-N

INCHI

1S/C16H16O3/c1-2-18-16(17)14-8-10-15(11-9-14)19-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3

SMILES isoméricas

CCOC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2

Peso molecular

256.3

Reaxy-Rn

2736729

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2736729&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoate ester - Phenoxy compound - Phenol ether - Benzoyl - Alkyl aryl ether - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• 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

Alvos associados (não humanos)

Rattus norvegicus (775804 Activities)

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

Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 42-44℃
• Peso molecular: 256.300 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 256.11 Da
• Monoisotopic Mass: 256.11 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 263.000
• 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