racemic-4-Hydroxy[2.2]paracyclophane - ≥97% , CAS No.157018-15-0

CAS: 157018-15-0 Cat. No.: R281744 Molecular Weight: 224.3 PubChem CID: 4350025

GRADE & PURITY ≥97%

Synonyms

(S)-4-Hydroxy-[2.2]paracyclophane | 4-Hydroxy(2.2)paracyclophane

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

(S)-4-Hydroxy-[2.2]paracyclophane | 4-Hydroxy(2.2)paracyclophane

Specifications & Purity

≥97%

Legal Information

Note: Paracyclophane Kit component.

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488194830
• Canonical Smiles: C1CC2=CC(=C(CCC3=CC=C1C=C3)C=C2)O
• IUPAC Name: tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaen-5-ol
• InChIKey: OGJZTZSDXOCMNS-UHFFFAOYSA-N
• INCHI: 1S/C16H16O/c17-16-11-14-6-5-12-1-3-13(4-2-12)7-9-15(16)10-8-14/h1-4,8,10-11,17H,5-7,9H2
• Isomeric SMILES: C1CC2=CC(=C(CCC3=CC=C1C=C3)C=C2)O
• PubChem CID: 4350025
• Molecular Weight: 224.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass 1-hydroxy-4-unsubstituted benzenoids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: 1-hydroxy-4-unsubstituted benzenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 1-hydroxy-4-unsubstituted benzenoids
• Alternative Parents: 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 1-hydroxy-4-unsubstituted benzenoids. These are phenols that are unsubstituted at the 4-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

Chemical and Physical Properties

• Molecular Weight: 224.300 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 224.12 Da
• Monoisotopic Mass: 224.12 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 242.000
• 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