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(E) -p-Coumaryl alcohol (Standard)

CAT: 0804-HY-N3102ARSize: 1 EachDry Ice: NoHazardous: No
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Description
(E) -p-Coumaryl alcohol is a metabolite of coumarin that has significant cytotoxicity. (E) -p-Coumaryl alcohol can be isolated from Alpinia officinarum and Rhodiola rosea and can be used for inflammation research[1].
CAS Number
20649-40-5
UNSPSC
12352005
Target
Others
Related Pathways
Others
Field of Research
Inflammation/Immunology
Smiles
OC1=CC=C(/C=C/CO)C=C1
Molecular Formula
C9H10O2
Molecular Weight
150.18
References & Citations
[1]Sukhirun N, et.al. Bioefficacy of Alpinia galanga (Zingiberaceae) rhizome extracts, (E) -p-acetoxycinnamyl alcohol, and (E) -p-coumaryl alcohol ethyl ether against Bactrocera dorsalis (Diptera: Tephritidae) and the impact on detoxification enzyme activities. J Econ Entomol. 2011 Oct;104 (5) :1534-40.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

p-Coumaryl alcohol

Trans-p-coumaryl alcohol is 4-Hydroxycinnamyl alcohol with E-configuration of the propenyl double bond. It is one of the main monolignols. It has a role as a monolignol. It is a phenylpropanoid, a 4-hydroxycinnamyl alcohol and a member of phenols. It is functionally related to an (E)-cinnamyl alcohol.

CAS Number20649-40-5
PubChem CID5280535
IUPAC Name4-[(E)-3-hydroxyprop-1-enyl]phenol
Molecular FormulaC9H10O2
Molecular Weight150.17
XLogP1.3
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity124
SMILES
C1=CC(=CC=C1/C=C/CO)O
InChI
InChI=1S/C9H10O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-6,10-11H,7H2/b2-1+
InChIKey
PTNLHDGQWUGONS-OWOJBTEDSA-N
Chemical Structure
2D Structure
2D structure of p-Coumaryl alcohol
CAS: 20649-40-5
CID: 5280535
Formula: C9H10O2
MW: 150.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight150.17
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass150.068079557
Monoisotopic Mass150.068079557
Topological Polar Surface Area40.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity124
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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