Cyclohexanecarboxylic acid, 4-(phenylmethoxy)-, methyl ester, trans-methyl trans-4-(benzyloxy)cyclohexane-1-carboxylate , CAS No.1417317-26-0

CAS: 1417317-26-0 Cat. No.: C669713 Molecular Weight: 248.32

Storage

Room temperature

Specifications

Storage

Room temperature

Product Properties

• ALogP: 2.7

Names and Identifiers

• Canonical Smiles: COC(=O)[C@H]1CC[C@H](OCC2=CC=CC=C2)CC1
• IUPAC Name: methyl 4-phenylmethoxycyclohexane-1-carboxylate
• InChIKey: QORLPNCJJITLOL-UHFFFAOYSA-N
• INCHI: 1S/C15H20O3/c1-17-15(16)13-7-9-14(10-8-13)18-11-12-5-3-2-4-6-12/h2-6,13-14H,7-11H2,1H3
• Isomeric SMILES: COC(=O)C1CCC(CC1)OCC2=CC=CC=C2
• Molecular Weight: 248.32
• Reaxy-Rn: 32471050
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32471050&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzylethers
• Alternative Parents: Methyl esters Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylether - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
• 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