Name: 2-(3,4,5-Trimethoxyphenyl)ethanol - ≥95% , CAS No.37785-48-1
Brand: Aladdin Scientific
SKU: T193076
Availability: InStock

Taxonomic Classification

Taxonomy Tree

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenols
Subclass	Tyrosols and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Tyrosols and derivatives
Alternative Parents	Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Primary alcohols Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Tyrosol derivative - Phenoxy compound - Methoxybenzene - Phenol ether - 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 tyrosols and derivatives. These are compounds containing a hydroxyethyl group attached to the C4 carbon of a phenol group.
External Descriptors	Not available
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

3D Structure

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	212.240 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	212.105 Da
Monoisotopic Mass	212.105 Da
Topological Polar Surface Area	47.900 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	160.000
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

Solution Calculators

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Reviews

Canonical Smiles	COC1=CC(=CC(=C1OC)OC)CCO
IUPAC Name	2-(3,4,5-trimethoxyphenyl)ethanol
InChIKey	CMHJWVUNNCFNOH-UHFFFAOYSA-N
INCHI	1S/C11H16O4/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7,12H,4-5H2,1-3H3
Isomeric SMILES	COC1=CC(=CC(=C1OC)OC)CCO
PubChem CID	10584643
Molecular Weight	212.24

2-(3,4,5-Trimethoxyphenyl)ethanol - ≥95% , CAS No.37785-48-1

Specifications