4-Methoxybenzhydrol - ≥98% , CAS No.720-44-5

CAS: 720-44-5 Cat. No.: M158738 Formule: C₁₄H₁₄O₂ Poids moléculaire: 214.26 Beilstein Registry Number: 6(4)6669 Numéro CE: 211-953-9

GRADE & PURITY ≥98%

Synonyms

D75401 | AKOS005379031 | SCHEMBL477621 | STK022522 | NoName_3861 | FT-0618918 | MFCD00014398 | p-methoxybenzhydryl alcohol | Benzenemethanol, 4-methoxy-alpha-phenyl- | M1278 | NSC5186 | NSC-5186 | (4-Methoxy-phenyl)-phenyl-methanol | (4-methoxyphenyl)-phe

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

D75401 | AKOS005379031 | SCHEMBL477621 | STK022522 | NoName_3861 | FT-0618918 | MFCD00014398 | p-methoxybenzhydryl alcohol | Benzenemethanol, 4-methoxy-alpha-phenyl- | M1278 | NSC5186 | NSC-5186 | (4-Methoxy-phenyl)-phenyl-methanol | (4-methoxyphenyl)-phe

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488186905

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186905

Sourires canoniques

COC1=CC=C(C=C1)C(C2=CC=CC=C2)O

IUPAC Name

(4-methoxyphenyl)-phenylmethanol

InChIKey

BEGZWXVLBIZFKQ-UHFFFAOYSA-N

INCHI

1S/C14H14O2/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-10,14-15H,1H3

Isomères SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)O

Poids moléculaire

214.26

Beilstein

6(4)6669

Reaxy-Rn

1963680

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1963680&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: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Secondary alcohols Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Alkyl aryl ether - Secondary alcohol - Ether - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
• Description: 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

Propriétés chimiques et physiques

• Point de fusion (°C): 65 °C
• Poids moléculaire: 214.260 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 214.099 Da
• Monoisotopic Mass: 214.099 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 191.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1