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3-(2-METHOXY-PHENYL)-PROPAN-1-OL - ≥95%, high purity , CAS No.10493-37-5
Basic Description
Synonyms
3-(2-methoxyphenyl)propan-1-ol | 10493-37-5 | Benzenepropanol, 2-methoxy- | 2-methoxybenzenepropanol | 3-(2-Methoxy-phenyl)-propan-1-ol | 1-Propanol, 3-(o-methoxyphenyl)- | 3-Guaiacyl propanol | 3-(2-Methoxyphenyl)-1-propanol | 3-(2-methoxyphenyl)propanol | 3-o-Methoxyphen
Specifications & Purity
≥95%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Anisoles
Intermediate Tree Nodes
Not available
Direct Parent
Anisoles
Alternative Parents
Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - 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
3-(2-methoxyphenyl)propan-1-ol
INCHI
InChI=1S/C10H14O2/c1-12-10-7-3-2-5-9(10)6-4-8-11/h2-3,5,7,11H,4,6,8H2,1H3
InChIKey
KCJSIKPCRQDRNX-UHFFFAOYSA-N
Smiles
COC1=CC=CC=C1CCCO
Isomeric SMILES
COC1=CC=CC=C1CCCO
Molecular Weight
166.222
Reaxy-Rn
2251461
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2251461&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
166.220 g/mol
XLogP3
2.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Exact Mass
166.099 Da
Monoisotopic Mass
166.099 Da
Topological Polar Surface Area
29.500 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
114.000
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
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J2423435