CAS 4046-02-0|ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate|Ethyl 3-(4-hydroxy-3-methoxyphenyl)acrylate|ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate|ethyl 3-(4-hydroxy-3-methoxyphen...

General Information

Structure

Molecular Formula

C₁₂H₁₄O₄

Molecular Mass

222.23716

Exact Mass

222.08920893

Charge

InChI

InChI=1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3/b7-5+

InChIKey

ATJVZXXHKSYELS-FNORWQNLSA-N

Canonic Smiles

CCOC(=O)/C=C/c1ccc(c(c1)OC)O

Isomeric Smiles

C(=O)(/C=C/c1cc(c(cc1)O)OC)OCC

Calculated Properties

JChem

Acid pKa

9.867808

H Acceptors

H Donor

LogD (pH = 5.5)

2.4108665

LogD (pH = 7.4)

2.4094183

Log P

2.410885

Molar Refractivity

61.0217

Polarizability

23.263937

Polar Surface Area

55.76

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate ethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Synonyms

Ethyl 3-(4-hydroxy-3-methoxyphenyl)acrylateFERULIC ACID ETHYLESTEREthyl ferulateEthyl 4-hydroxy-3-methoxycinnamate4-羟基-3-甲氧基肉桂酸乙酯Ferulic acid ethyl esterEthyl 3-(4-hydroxy-3-methoxyphenyl)acrylateEthyl 4-hydroxy-3-methoxycinnamate 98%Ethyl ferulate阿魏酸乙酯

IUPAC name

ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate ethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Names and Identifiers

Registration numbers

MDL Number

CAS Number

EC Number

PubChem SID