2-(Benzyloxy)-1-naphthaldehyde , CAS No.52805-48-8

CAS: 52805-48-8 Cat. No.: B170804 Summenformel: C₁₈H₁₄O₂ Molekulargewicht: 262.3

Synonyms

E89431 | 2-Benzyloxy-naphthalene-1-carbaldehyde | 2-phenylmethoxy-1-naphthalenecarboxaldehyde | 2-benzyloxy-1-naphthaldehyde | CHEBI:121112 | 4H-959 | 2-(benzyloxy)naphthalene-1-carbaldehyde | 2-phenylmethoxynaphthalene-1-carbaldehyde | HMS2662N12 | Oprea

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

E89431 | 2-Benzyloxy-naphthalene-1-carbaldehyde | 2-phenylmethoxy-1-naphthalenecarboxaldehyde | 2-benzyloxy-1-naphthaldehyde | CHEBI:121112 | 4H-959 | 2-(benzyloxy)naphthalene-1-carbaldehyde | 2-phenylmethoxynaphthalene-1-carbaldehyde | HMS2662N12 | Oprea

Storage

Room temperature

Verschickt in

Normal

Namen und Kennungen

Kanonisches Lächeln

C1=CC=C(C=C1)COC2=C(C3=CC=CC=C3C=C2)C=O

IUPAC Name

2-phenylmethoxynaphthalene-1-carbaldehyde

InChIKey

VEMDBXGFPCYWJJ-UHFFFAOYSA-N

INCHI

1S/C18H14O2/c19-12-17-16-9-5-4-8-15(16)10-11-18(17)20-13-14-6-2-1-3-7-14/h1-12H,13H2

Isomere SMILES

C1=CC=C(C=C1)COC2=C(C3=CC=CC=C3C=C2)C=O

Molekulargewicht

262.3

Reaxy-Rn

1882139

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1882139&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Aryl-aldehydes Alkyl aryl ethers Benzene and substituted derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Aryl-aldehyde - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homopolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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

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VDR Tclin Vitamin D receptor (26531 Activities)

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PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

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L3MBTL1 Tchem Lethal(3)malignant brain tumor-like protein 1 (14536 Activities)

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SMN1 Tchem Survival motor neuron protein (34246 Activities)

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SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)

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NPC1 Tchem Niemann-Pick C1 protein (18985 Activities)

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RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)

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microRNA 21 (64692 Activities)

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ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

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RGS4 Tchem Regulator of G-protein signaling 4 (13867 Activities)

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Plasmodium falciparum (966862 Activities)

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Luciferin 4-monooxygenase (66902 Activities)

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Mapt Microtubule-associated protein tau (6 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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FTL Ferritin light chain (43324 Activities)

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NS1 Nonstructural protein 1 (33327 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 262.300 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 262.099 Da
• Monoisotopic Mass: 262.099 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 309.000
• 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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