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(E)-1-Benzyloxy-2-methoxy-4-(1-propenyl)benzene - >98.0%(GC), high purity , CAS No.92666-21-2
Basic Description
Synonyms
120-11-6 | Benzyl isoeugenol | 1-Benzyloxy-2-methoxy-4-(1-propenyl)benzene | 1-Benzyloxy-2-methoxy-4-propenylbenzene | 92666-21-2 | 1-(benzyloxy)-2-methoxy-4-(prop-1-en-1-yl)benzene | Benzyl isoeugenol ether | Isoeugenyl benzyl ether | Isoeugenol, benzyl ether | trans-Isoe
Specifications & Purity
≥98%(GC)
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Anisoles
Intermediate Tree Nodes
Not available
Direct Parent
Anisoles
Alternative Parents
Styrenes Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxy compound - Methoxybenzene - Styrene - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
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.
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
2-methoxy-1-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
INCHI
InChI=1S/C17H18O2/c1-3-7-14-10-11-16(17(12-14)18-2)19-13-15-8-5-4-6-9-15/h3-12H,13H2,1-2H3/b7-3+
InChIKey
YKSSSKBJDZDZTD-XVNBXDOJSA-N
Smiles
CC=CC1=CC(=C(C=C1)OCC2=CC=CC=C2)OC
Isomeric SMILES
C/C=C/C1=CC(=C(C=C1)OCC2=CC=CC=C2)OC
RTECS
CY8225000
Molecular Weight
254.33
Reaxy-Rn
14384328
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14384328&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in Methanol
Melt Point(°C)
59 °C
Molecular Weight
254.320 g/mol
XLogP3
4.100
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
5
Exact Mass
254.131 Da
Monoisotopic Mass
254.131 Da
Topological Polar Surface Area
18.500 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
268.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
1
Covalently-Bonded Unit Count
1
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