CAS 140-67-0|tarragon|1-methoxy-4-(prop-2-en-1-yl)benzene|p-ALLYLANISOLE|chavicol methylether|estragol|methylchavicol|1-methoxy-4-(2-propenyl)-benzene|chavicyl methylether|estragon;p-allylanisole|is...

General Information

Structure

Molecular Formula

C₁₀H₁₂O

Molecular Mass

148.20168

Exact Mass

148.088815

Charge

InChI

InChI=1S/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3

InChIKey

ZFMSMUAANRJZFM-UHFFFAOYSA-N

Canonic Smiles

COc1ccc(cc1)CC=C

Isomeric Smiles

COc1ccc(CC=C)cc1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.9141452

LogD (pH = 7.4)

2.9141452

Log P

2.9141452

Molar Refractivity

46.8085

Polarizability

18.161896

Polar Surface Area

9.23

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

tarragon

IUPAC name

1-methoxy-4-(prop-2-en-1-yl)benzene

Synonyms

p-ALLYLANISOLEchavicol methyletherestragolmethylchavicol1-methoxy-4-(2-propenyl)-benzenechavicyl methyletherestragon;p-allylanisoleisoanethole, 4-AllylanisoleEstragole胡椒酚甲醚Estragole4-烯丙基苯甲醚草蒿脑Chavicol methyl ether4-Allylanisole4-Allylanisole4-烯丙基苯甲醚草蒿脑Estragole

Names and Identifiers

Registration numbers

CAS Number

EC Number

CHEMBL

Wikipedia Title

Chemspider ID