(2-(Benzyloxy)-4-fluorophenyl)methanol , CAS No.351445-99-3

CAS: 351445-99-3 Cat. No.: B1330303 Formula: C₁₄H₁₃FO₂ Peso molecolare: 232.26 PubChem CID: 58882932

Storage

Room temperature

Specifications

Condizioni di conservazione di stoccaggio

Room temperature

Nomi e identificatori

Sorrisi canonici

C1=CC=C(C=C1)COC2=C(C=CC(=C2)F)CO

IUPAC Name

(4-fluoro-2-phenylmethoxyphenyl)methanol

InChIKey

YTGCFHNGHJMIER-UHFFFAOYSA-N

INCHI

1S/C14H13FO2/c15-13-7-6-12(9-16)14(8-13)17-10-11-4-2-1-3-5-11/h1-8,16H,9-10H2

Isomeri SMILES

C1=CC=C(C=C1)COC2=C(C=CC(=C2)F)CO

PubChem CID

58882932

Peso molecolare

232.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Benzyl alcohols Fluorobenzenes Alkyl aryl ethers Aryl fluorides Primary alcohols Organofluorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Benzyl alcohol - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Ether - Organooxygen compound - Organofluoride - Organohalogen compound - Alcohol - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Aromatic alcohol - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 232.250 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 232.09 Da
• Monoisotopic Mass: 232.09 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 216.000
• 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

Domande frequenti

How should this product be stored?

Store at room temperature.