chempirical

β-Asarone

C12H16O3CAS 5273-86-9208.26 g/mol

Open in Covalent MOL file
OOO
AlkeneEther

Properties

Molecular formula
C12H16O3
Molar mass
208.26 g/mol
Exact mass
208.1099 Da
logP
2.75Crippen estimate
Polar surface area
27.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Identifiers

CAS number
5273-86-9
SMILES
C/C=Cc1cc(OC)c(OC)cc1OC
InChIKey
RKFAZBXYICVSKP-WAYWQWQTSA-N
InChI
InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5-8H,1-4H3/b6-5-

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names
  • Benzene, 1,2,4-trimethoxy-5-(1Z)-1-propen-1-yl-
  • Benzene, 1,2,4-trimethoxy-5-propenyl-, (Z)-
  • Benzene, 1,2,4-trimethoxy-5-(1-propenyl)-, (Z)-
  • Benzene, 1,2,4-trimethoxy-5-(1Z)-1-propenyl-
  • 1,2,4-Trimethoxy-5-(1Z)-1-propen-1-ylbenzene
  • cis-β-Asarone
  • cis-Isoasarone
  • cis-Asarone
  • (Z)-Asarone
  • (Z)-Azarone

Work with β-Asarone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4,5-Trimethoxybenzaldehyde4460-86-057 % similar Methylisoeugenol93-16-353 % similar 3-(2,4,5-Trimethoxyphenyl)-2-propenoic acid24160-53-053 % similar Isoeugenol97-54-143 % similar 6-Bromoveratraldehyde5392-10-941 % similar Acetylisoeugenol93-29-840 % similar 1,2-Difluoro-4,5-dimethoxybenzene203059-80-739 % similar 1,2-Dibromo-4,5-dimethoxybenzene37895-73-139 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Phenoxyethyl isobutyrate103-60-6 Ethyl (S)-2-hydroxy-4-phenylbutyrate125639-64-7 4-(Pentyloxy)benzoic acid15872-41-0 2-[4-(1,1-Dimethylethyl)phenoxy]acetic acid1798-04-5 Amyl salicylate2050-08-0 Asarone2883-98-9 4-Butoxybenzeneacetic acid4547-57-3 Elemicin487-11-6

Elsewhere

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