P-Hydroxyphenethyl vanillate

CAT: 0013-GTR19260233-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19260233-01Size:25 mg

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Description

P-Hydroxyphenethyl vanillate is a Phenols product that can be isolated from the herbs of Notopterygium forbesii.

CAS Number

1539303-03-1

Purity

>98% (HPLC)

Molecular Formula

C16H16O5

Molecular Weight

288.3

Storage Conditions

Storage temperature: -20°C. Stability: ≥ 2 years

Notes

For research use only.

Chemical Information

p-Hydroxyphenethyl vanillate

p-Hydroxyphenethyl vanillate has been reported in Buddleja salviifolia with data available.

CAS Number	1539303-03-1
PubChem CID	86574876
IUPAC Name	2-(4-hydroxyphenyl)ethyl 4-hydroxy-3-methoxybenzoate
Molecular Formula	C16H16O5
Molecular Weight	288.29
XLogP	3.4
Topological Polar Surface Area	76
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	21
Formal Charge	0
Complexity	325

SMILES

COC1=C(C=CC(=C1)C(=O)OCCC2=CC=C(C=C2)O)O

InChI

InChI=1S/C16H16O5/c1-20-15-10-12(4-7-14(15)18)16(19)21-9-8-11-2-5-13(17)6-3-11/h2-7,10,17-18H,8-9H2,1H3

InChIKey

OFWLQIYIQOGIJW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1539303-03-1

CID: 86574876

Formula: C16H16O5

MW: 288.29

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	288.29
XLogP3	3.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	288.09977361
Monoisotopic Mass	288.09977361
Topological Polar Surface Area	76 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	325
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
PLC30303-01	P-Hydroxyphenethyl vanillate
BUP02651-01	P-Hydroxyphenethyl anisate
JDA87315-01	P-Hydroxyphenethyl trans-ferulate
T60103-01	N6- (p-Hydroxyphenethyl) -Adenosine)
MBS5786037	N6-(p-Hydroxyphenethyl)-Adenosine)
VAA37537-01	P-Hydroxy-N- (p-hydroxyphenethyl) -cinnamamide
TRC-E931978-250MG	Ethyl vanillate
TRC-M338490-1G	Methyl Vanillate

P-Hydroxyphenethyl vanillate

Chemical Information

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