Bis-(4-hydroxy-1-naphthyl)phenylmethanol - ≥95% , CAS No.6948-88-5

CAS: 6948-88-5 Cat. No.: B304419 Molecular Weight: 392.46

GRADE & PURITY ≥95%

Synonyms

4-Hydroxy-alpha-(4-hydroxynaphthyl)-alpha-phenylnaphthalene-1-methanol | 4,4'-(hydroxy(phenyl)methylene)bis(naphthalen-1-ol) | 4-[hydroxy-(4-hydroxynaphthalen-1-yl)-phenylmethyl]naphthalen-1-ol

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

4-Hydroxy-alpha-(4-hydroxynaphthyl)-alpha-phenylnaphthalene-1-methanol | 4, 4'-(hydroxy(phenyl)methylene)bis(naphthalen-1-ol) | 4-[hydroxy-(4-hydroxynaphthalen-1-yl)-phenylmethyl]naphthalen-1-ol

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488185956
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185956
• Canonical Smiles: C1=CC=C(C=C1)C(C2=CC=C(C3=CC=CC=C32)O)(C4=CC=C(C5=CC=CC=C54)O)O
• IUPAC Name: 4-[hydroxy-(4-hydroxynaphthalen-1-yl)-phenylmethyl]naphthalen-1-ol
• InChIKey: OUYLDJXFDLBCTQ-UHFFFAOYSA-N
• INCHI: 1S/C27H20O3/c28-25-16-14-23(19-10-4-6-12-21(19)25)27(30,18-8-2-1-3-9-18)24-15-17-26(29)22-13-7-5-11-20(22)24/h1-17,28-30H
• Isomeric SMILES: C1=CC=C(C=C1)C(C2=CC=C(C3=CC=CC=C32)O)(C4=CC=C(C5=CC=CC=C54)O)O
• Molecular Weight: 392.46
• Reaxy-Rn: 3471575
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3471575&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Naphthalenes
      • Subclass Naphthols and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Naphthalenes
• Subclass: Naphthols and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthols and derivatives
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Tertiary alcohols Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1-naphthol - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Tertiary alcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Alcohol - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthols and derivatives. These are naphthalene derivatives carrying one or more hydroxyl (-OH) groups at any ring position.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 392.400 g/mol
• XLogP3: 6.000
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 392.141 Da
• Monoisotopic Mass: 392.141 Da
• Topological Polar Surface Area: 60.700 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 532.000
• 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